Mock Version: 1.2.21 ENTER ['do'](['bash', '--login', '-c', '/usr/bin/rpmbuild -bs --target x86_64 --nodeps /builddir/build/SPECS/plumed.spec'], env={'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'LANG': 'en_US.UTF-8', 'TERM': 'vt100', 'PROMPT_COMMAND': 'printf "\\033]0;\\007"', 'SHELL': '/bin/bash', 'PS1': ' \\s-\\v\\$ ', 'HOSTNAME': 'mock', 'HOME': '/builddir'}user='mockbuild'logger=gid=135chrootPath='/var/lib/mock/epel-7-x86_64-mockbuilder-4092/root'timeout=0printOutput=Falseuid=1001shell=False) Executing command: ['bash', '--login', '-c', '/usr/bin/rpmbuild -bs --target x86_64 --nodeps /builddir/build/SPECS/plumed.spec'] with env {'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'LANG': 'en_US.UTF-8', 'TERM': 'vt100', 'PROMPT_COMMAND': 'printf "\\033]0;\\007"', 'SHELL': '/bin/bash', 'PS1': ' \\s-\\v\\$ ', 'HOSTNAME': 'mock', 'HOME': '/builddir'} and shell False warning: Could not canonicalize hostname: copr-builder-720928416.novalocal Building target platforms: x86_64 Building for target x86_64 Wrote: /builddir/build/SRPMS/plumed-2.2.1-2.el7.centos.src.rpm Child return code was: 0 ENTER ['do'](['bash', '--login', '-c', '/usr/bin/rpmbuild -bb --target x86_64 --nodeps /builddir/build/SPECS/plumed.spec'], env={'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'LANG': 'en_US.UTF-8', 'TERM': 'vt100', 'PROMPT_COMMAND': 'printf "\\033]0;\\007"', 'SHELL': '/bin/bash', 'PS1': ' \\s-\\v\\$ ', 'HOSTNAME': 'mock', 'HOME': '/builddir'}private_network=Trueuser='mockbuild'logger=gid=135chrootPath='/var/lib/mock/epel-7-x86_64-mockbuilder-4092/root'timeout=0printOutput=Falseuid=1001shell=False) Executing command: ['bash', '--login', '-c', '/usr/bin/rpmbuild -bb --target x86_64 --nodeps /builddir/build/SPECS/plumed.spec'] with env {'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'LANG': 'en_US.UTF-8', 'TERM': 'vt100', 'PROMPT_COMMAND': 'printf "\\033]0;\\007"', 'SHELL': '/bin/bash', 'PS1': ' \\s-\\v\\$ ', 'HOSTNAME': 'mock', 'HOME': '/builddir'} and shell False Building target platforms: x86_64 Building for target x86_64 Executing(%prep): /bin/sh -e /var/tmp/rpm-tmp.uQEOOz + umask 022 + cd /builddir/build/BUILD + cd /builddir/build/BUILD + rm -rf plumed-2.2.1 + /usr/bin/mkdir -p plumed-2.2.1 + cd plumed-2.2.1 + /usr/bin/gzip -dc /builddir/build/SOURCES/plumed-2.2.1.tar.gz + /usr/bin/tar -xf - + STATUS=0 + '[' 0 -ne 0 ']' + /usr/bin/chmod -Rf a+rX,u+w,g-w,o-w . + mv plumed2-2.2.1 serial + cp -a serial openmpi + exit 0 Executing(%build): /bin/sh -e /var/tmp/rpm-tmp.QGBG2i + umask 022 + cd /builddir/build/BUILD + cd plumed-2.2.1 + export LIBS=-lopenblas + LIBS=-lopenblas + export LDFLAGS=-Wl,--as-needed + LDFLAGS=-Wl,--as-needed + pushd serial ~/build/BUILD/plumed-2.2.1/serial ~/build/BUILD/plumed-2.2.1 + CFLAGS='-O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic' + export CFLAGS + CXXFLAGS='-O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic' + export CXXFLAGS + FFLAGS='-O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -I/usr/lib64/gfortran/modules' + export FFLAGS + FCFLAGS='-O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -I/usr/lib64/gfortran/modules' + export FCFLAGS + LDFLAGS=-Wl,--as-needed + export LDFLAGS + '[' 1 == 1 ']' + '[' x86_64 == ppc64le ']' ++ find . -name config.guess -o -name config.sub + ./configure --build=x86_64-redhat-linux-gnu --host=x86_64-redhat-linux-gnu --program-prefix= --disable-dependency-tracking --prefix=/usr --exec-prefix=/usr --bindir=/usr/bin --sbindir=/usr/sbin --sysconfdir=/etc --datadir=/usr/share --includedir=/usr/include --libdir=/usr/lib64 --libexecdir=/usr/libexec --localstatedir=/var --sharedstatedir=/var/lib --mandir=/usr/share/man --infodir=/usr/share/info --disable-mpi configure: WARNING: unrecognized options: --disable-dependency-tracking checking for x86_64-redhat-linux-gnu-g++... no checking for x86_64-redhat-linux-gnu-cxx... no checking for x86_64-redhat-linux-gnu-icpc... no checking for x86_64-redhat-linux-gnu-gpp... no checking for x86_64-redhat-linux-gnu-aCC... no checking for x86_64-redhat-linux-gnu-CC... no checking for x86_64-redhat-linux-gnu-cxx... no checking for x86_64-redhat-linux-gnu-cc++... no checking for x86_64-redhat-linux-gnu-cl.exe... no checking for x86_64-redhat-linux-gnu-FCC... no checking for x86_64-redhat-linux-gnu-KCC... no checking for x86_64-redhat-linux-gnu-RCC... no checking for x86_64-redhat-linux-gnu-xlC_r... no checking for x86_64-redhat-linux-gnu-xlC... no checking for g++... g++ checking whether the C++ compiler works... yes checking for C++ compiler default output file name... a.out checking for suffix of executables... checking whether we are cross compiling... no checking for suffix of object files... o checking whether we are using the GNU C++ compiler... yes checking whether g++ accepts -g... yes checking for x86_64-redhat-linux-gnu-gcc... no checking for gcc... gcc checking whether we are using the GNU C compiler... yes checking whether gcc accepts -g... yes checking for gcc option to accept ISO C89... none needed checking for x86_64-redhat-linux-gnu-gfortran... no checking for x86_64-redhat-linux-gnu-g95... no checking for x86_64-redhat-linux-gnu-xlf95... no checking for x86_64-redhat-linux-gnu-f95... no checking for x86_64-redhat-linux-gnu-fort... no checking for x86_64-redhat-linux-gnu-ifort... no checking for x86_64-redhat-linux-gnu-ifc... no checking for x86_64-redhat-linux-gnu-efc... no checking for x86_64-redhat-linux-gnu-pgfortran... no checking for x86_64-redhat-linux-gnu-pgf95... no checking for x86_64-redhat-linux-gnu-lf95... no checking for x86_64-redhat-linux-gnu-ftn... no checking for x86_64-redhat-linux-gnu-nagfor... no checking for x86_64-redhat-linux-gnu-xlf90... no checking for x86_64-redhat-linux-gnu-f90... no checking for x86_64-redhat-linux-gnu-pgf90... no checking for x86_64-redhat-linux-gnu-pghpf... no checking for x86_64-redhat-linux-gnu-epcf90... no checking for x86_64-redhat-linux-gnu-g77... no checking for x86_64-redhat-linux-gnu-xlf... no checking for x86_64-redhat-linux-gnu-f77... no checking for x86_64-redhat-linux-gnu-frt... no checking for x86_64-redhat-linux-gnu-pgf77... no checking for x86_64-redhat-linux-gnu-cf77... no checking for x86_64-redhat-linux-gnu-fort77... no checking for x86_64-redhat-linux-gnu-fl32... no checking for x86_64-redhat-linux-gnu-af77... no checking for gfortran... gfortran checking whether we are using the GNU Fortran compiler... yes checking whether gfortran accepts -g... yes configure: Initial CXX: g++ configure: Initial CXXFLAGS: -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic configure: Initial CPPFLAGS: configure: Initial CFLAGS: -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic configure: Initial LDFLAGS: -Wl,--as-needed configure: Initial LIBS: -Wl,--as-needed configure: Initial STATIC_LIBS: -Wl,--as-needed configure: Initial LD: g++ configure: Initial LDSO: g++ configure: Initial SOEXT: checking whether g++ accepts -fPIC... yes checking whether gcc accepts -fPIC... yes checking whether g++ accepts -Wall... yes checking whether g++ accepts -pedantic... yes checking whether g++ accepts -ansi... yes checking whether g++ supports explicit... yes configure: Now we will check compulsory headers and libraries checking how to run the C++ preprocessor... g++ -E checking for grep that handles long lines and -e... /usr/bin/grep checking for egrep... /usr/bin/grep -E checking for ANSI C header files... yes checking for sys/types.h... yes checking for sys/stat.h... yes checking for stdlib.h... yes checking for string.h... yes checking for memory.h... yes checking for strings.h... yes checking for inttypes.h... yes checking for stdint.h... yes checking for unistd.h... yes checking dirent.h usability... yes checking dirent.h presence... yes checking for dirent.h... yes checking for readdir... yes checking for dgemv... no checking for dgemv_... yes checking for dsyevr_... yes configure: Now we will check for optional headers and libraries checking for molfile_dcdplugin_init in -lmolfile_plugin... no checking for dlopen in -ldl... configure: WARNING: using internal molfile_plugins, which only support dcd/xtc/trr/trj/crd files yes checking for g++ option to support OpenMP... -fopenmp checking matheval.h usability... yes checking matheval.h presence... yes checking for matheval.h... yes checking for evaluator_create... no checking for evaluator_create in -lmatheval... yes checking time.h usability... yes checking time.h presence... yes checking for time.h... yes checking for clock_gettime... yes checking sys/time.h usability... yes checking sys/time.h presence... yes checking for sys/time.h... yes checking for gettimeofday... yes checking for dirent.h... (cached) yes checking for readdir_r... yes checking regex.h usability... yes checking regex.h presence... yes checking for regex.h... yes checking for regcomp... yes checking dlfcn.h usability... yes checking dlfcn.h presence... yes checking for dlfcn.h... yes checking for dlopen... yes checking execinfo.h usability... yes checking execinfo.h presence... yes checking for execinfo.h... yes checking for backtrace... yes checking zlib.h usability... yes checking zlib.h presence... yes checking for zlib.h... yes checking for gzopen... no checking for gzopen in -lz... yes checking xdrfile/xdrfile_xtc.h usability... no checking xdrfile/xdrfile_xtc.h presence... no checking for xdrfile/xdrfile_xtc.h... no configure: Release mode, adding -DNDEBUG configure: WARNING: cannot enable __PLUMED_HAS_XDRFILE configure: *** Special settings for dynamic libraries on Linux *** configure: Dynamic library extension is 'so' configure: LDSO and LDFLAGS need special flags checking whether LDFLAGS can contain -rdynamic... yes configure: Using LDSO='g++ -shared' configure: Using LDFLAGS='-Wl,--as-needed -rdynamic' checking whether LDSO can create dynamic libraries... yes checking for doxygen... found configure: Doxygen version is fine checking for dot... found checking for xxd... found checking whether a program can be run on this machine... yes configure: PLUMED seems to be configured properly! configure: ************************** checking whether C++ objects can be grouped with ld -r... yes configure: I will now check if C++ objects can be linked by C/Fortran compilers configure: This is relevant if you want to use plumed patch --static on a non-C++ code checking whether C can link a C++ object... no checking whether C can link a C++ object with library -lstdc++... no checking whether C can link a C++ object with library -lc++... no checking whether C can link a C++ object with library -lmpi_cxx... no configure: WARNING: You might have problems linking C programs. configure: WARNING: Please add c++ library to LIBS checking whether FORTRAN can link a C++ object... no checking whether FORTRAN can link a C++ object with library -lstdc++... no checking whether FORTRAN can link a C++ object with library -lc++... no checking whether FORTRAN can link a C++ object with library -lmpi_cxx... no configure: WARNING: You might have problems linking FORTRAN programs. configure: WARNING: Please add c++ library to LIBS configure: **** PLUMED will be installed using the following paths: configure: **** prefix: /usr configure: **** exec_prefix: /usr configure: **** bindir: /usr/bin configure: **** libdir: /usr/lib64 configure: **** includedir: /usr/include configure: **** datarootdir: ${prefix}/share configure: **** datadir: /usr/share configure: **** docdir: ${prefix}/share/doc/plumed configure: **** htmldir: ${docdir} configure: **** Executable will be named plumed configure: **** You can change paths later using options to "make install" configure: **** e.g. with "make install prefix=/path" configure: **** PLUMED will be compiled without MPI configure: creating ./config.status config.status: creating Makefile.conf config.status: creating sourceme.sh config.status: creating stamp-h configure: WARNING: unrecognized options: --disable-dependency-tracking + make -j2 make lib make[1]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial' make -C src make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src' make -C lib make[3]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/lib' make dirslinks make[4]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/lib' *** Updating links to used modules in all directories *** make ../analysis.links ../bias.links ../blas.links ../cltools.links ../colvar.links ../config.links ../core.links ../function.links ../generic.links ../lapack.links ../main.links ../mapping.links ../molfile.links ../multicolvar.links ../reference.links ../secondarystructure.links ../setup.links ../tools.links ../vatom.links ../vesselbase.links ../wrapper.links make[5]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/lib' make -C ../analysis links make -C ../bias links make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/analysis' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/serial/src/analysis make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/bias' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/serial/src/bias make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/bias' make -C ../blas links make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/blas' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/serial/src/blas make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/blas' make -C ../cltools links make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/cltools' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/serial/src/cltools make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/analysis' make -C ../colvar links make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/colvar' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/serial/src/colvar make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/cltools' make -C ../config links make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/config' Nothing to do in /builddir/build/BUILD/plumed-2.2.1/serial/src/config make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/config' make -C ../core links make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/core' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/serial/src/core make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/colvar' make -C ../function links make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/function' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/serial/src/function make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/core' make -C ../generic links make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/generic' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/serial/src/generic make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/function' make -C ../lapack links make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/lapack' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/serial/src/lapack make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/lapack' make -C ../main links make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/main' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/serial/src/main make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/generic' make -C ../mapping links make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/main' make -C ../molfile links make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/mapping' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/serial/src/mapping make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/molfile' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/serial/src/molfile make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/molfile' make -C ../multicolvar links make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/multicolvar' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/serial/src/multicolvar make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/multicolvar' make -C ../reference links make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/mapping' make -C ../secondarystructure links make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/reference' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/serial/src/reference make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/secondarystructure' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/serial/src/secondarystructure make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/reference' make -C ../setup links make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/setup' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/serial/src/setup make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/secondarystructure' make -C ../tools links make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/tools' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/serial/src/tools make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/setup' make -C ../vatom links make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/vatom' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/serial/src/vatom make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/tools' make -C ../vesselbase links make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/vesselbase' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/serial/src/vesselbase make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/vatom' make -C ../wrapper links make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/wrapper' Nothing to do in /builddir/build/BUILD/plumed-2.2.1/serial/src/wrapper make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/wrapper' make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/vesselbase' make[5]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/lib' make[4]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/lib' make dirs make[4]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/lib' *** Compiling all directories *** make ../analysis ../bias ../blas ../cltools ../colvar ../config ../core ../function ../generic ../lapack ../main ../mapping ../molfile ../multicolvar ../reference ../secondarystructure ../setup ../tools ../vatom ../vesselbase ../wrapper make[5]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/lib' make -C ../analysis obj make -C ../bias obj make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/analysis' make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/bias' compiling Restraint.cpp compiling AnalysisWithLandmarks.cpp compiling ClassicalScaling.cpp compiling PBMetaD.cpp compiling Commit.cpp PBMetaD.cpp: In destructor 'virtual PLMD::bias::PBMetaD::~PBMetaD()': PBMetaD.cpp:256:34: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] for(int i=0; i >&, double*)': SimpleMD.cpp:211:23: warning: ignoring return value of 'char* fgets(char*, int, FILE*)', declared with attribute warn_unused_result [-Wunused-result] fgets(buffer,256,fp); ^ SimpleMD.cpp:212:66: warning: ignoring return value of 'int fscanf(FILE*, const char*, ...)', declared with attribute warn_unused_result [-Wunused-result] fscanf(fp,"%1000lf %1000lf %1000lf",&cell[0],&cell[1],&cell[2]); ^ SimpleMD.cpp:214:107: warning: ignoring return value of 'int fscanf(FILE*, const char*, ...)', declared with attribute warn_unused_result [-Wunused-result] fscanf(fp,"%255s %1000lf %1000lf %1000lf",atomname,&positions[i][0],&positions[i][1],&positions[i][2]); ^ compiling kT.cpp compiling Driver.cpp compiling GenTemplate.cpp compiling DriverFloat.cpp compiling BiasValue.cpp compiling LWalls.cpp compiling Bias.cpp compiling ABMD.cpp compiling Info.cpp compiling DriverDouble.cpp make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/bias' make -C ../colvar obj make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/colvar' compiling Torsion.cpp compiling PathMSD.cpp compiling PathMSDBase.cpp make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/cltools' make -C ../config obj make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/config' make PLUMED_FORCE=yes ConfigInstall.cpp Config.cpp version.h make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/config' Updating ConfigInstall.cpp cmp -s ConfigInstall.cpp~ ConfigInstall.cpp || cp ConfigInstall.cpp~ ConfigInstall.cpp rm ConfigInstall.cpp~ Updating Config.cpp cmp -s Config.cpp~ Config.cpp || cp Config.cpp~ Config.cpp rm Config.cpp~ Updating version.h make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/config' make Config.o ConfigInstall.o compile_options.sh make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/config' cat ../../Makefile.conf | xxd -i > Makefile.conf.xxd Building compile_options.sh, a sourceable bash script with some compilation options compiling Config.cpp compiling ConfigInstall.cpp make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/config' make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/config' make -C ../core obj make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/core' compiling Value.cpp compiling ActionWithArguments.cpp compiling Volume.cpp compiling RDC.cpp compiling PlumedMainInitializer.cpp compiling CLToolRegister.cpp compiling PCARMSD.cpp compiling FlexibleBin.cpp PCARMSD.cpp: In member function 'virtual void PLMD::colvar::PCARMSD::calculate()': PCARMSD.cpp:217:51: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] for(unsigned i=0;i&)': Atoms.cpp:171:24: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] for(unsigned i=0;i >&)': Atoms.cpp:510:32: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] for(int i=0; i&)': ActionAtomistic.cpp:74:28: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if(indexes[i].index()>=n) error("atom out of range"); ^ compiling Dipole.cpp compiling ActionWithVirtualAtom.cpp compiling Constant.cpp compiling MultiRMSD.cpp compiling GREX.cpp compiling ActionSet.cpp compiling NOE.cpp compiling ActionWithValue.cpp compiling CLTool.cpp compiling PropertyMap.cpp compiling MDAtoms.cpp compiling ActionSetup.cpp make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/core' compiling Gyration.cpp compiling Template.cpp make -C ../function obj make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/function' compiling FuncSumHills.cpp compiling Energy.cpp compiling Fake.cpp In file included from core/../../core/tools/../../tools/Keywords.h:29:0, from core/../../core/tools/Keywords.h:1, from core/../../core/Action.h:27, from core/../../core/ActionAtomistic.h:25, from core/../../core/Colvar.h:25, from core/Colvar.h:1, from Colvar.h:24, from Fake.cpp:22: Fake.cpp: In constructor 'PLMD::colvar::ColvarFake::ColvarFake(const PLMD::ActionOptions&)': Fake.cpp:90:58: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] plumed_massert(getNumberOfComponents()*2==period.size(),"the periodicty should coincide with the number of components"); ^ core/../../core/tools/../../tools/Exception.h:132:39: note: in definition of macro 'plumed_massert' #define plumed_massert(test,msg) if(!(test)) throw PLMD::Exception("assertion failed " #test ", " msg,__FILE__,__LINE__,__PRETTY_FUNCTION__) ^ make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/colvar' make -C ../generic obj make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/generic' compiling WrapAround.cpp compiling DumpForces.cpp compiling Include.cpp compiling RandomExchanges.cpp compiling Ensemble.cpp compiling WholeMolecules.cpp compiling Combine.cpp compiling Sort.cpp compiling Flush.cpp compiling DumpProjections.cpp compiling Function.cpp compiling Read.cpp compiling Target.cpp compiling FuncPathMSD.cpp FuncPathMSD.cpp: In constructor 'PLMD::function::FuncPathMSD::FuncPathMSD(const PLMD::ActionOptions&)': FuncPathMSD.cpp:184:47: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if(neigh_size>getNumberOfArguments()){ ^ compiling Print.cpp compiling FitToTemplate.cpp compiling Matheval.cpp compiling EffectiveEnergyDrift.cpp compiling Piecewise.cpp EffectiveEnergyDrift.cpp: In constructor 'PLMD::generic::EffectiveEnergyDrift::EffectiveEnergyDrift(const PLMD::ActionOptions&)': EffectiveEnergyDrift.cpp:160:33: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] for(int i=0;iexists(tmpActions[i]->getLabel()+".bias")) biases.push_back(tmpActions[i]); ^ EffectiveEnergyDrift.cpp: In member function 'virtual void PLMD::generic::EffectiveEnergyDrift::update()': EffectiveEnergyDrift.cpp:189:34: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] for(int i=0;igetOutputQuantity("bias"); ^ make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/function' compiling DumpAtoms.cpp compiling DumpMassCharge.cpp DumpMassCharge.cpp: In constructor 'PLMD::generic::DumpMassCharge::DumpMassCharge(const PLMD::ActionOptions&)': DumpMassCharge.cpp:132:52: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] for(unsigned i=0;if); ^ compiling PCAVars.cpp In file included from Gromacs.h:86:0, from gromacsplugin.cpp:62: endianswap.h: At global scope: endianswap.h:72:13: warning: 'void PLMD::molfile::swap2_unaligned(void*, long int)' defined but not used [-Wunused-function] static void swap2_unaligned(void *v, long ndata) { ^ endianswap.h:86:13: warning: 'void PLMD::molfile::swap4_unaligned(void*, long int)' defined but not used [-Wunused-function] static void swap4_unaligned(void *v, long ndata) { ^ endianswap.h:105:13: warning: 'void PLMD::molfile::swap8_unaligned(void*, long int)' defined but not used [-Wunused-function] static void swap8_unaligned(void *v, long ndata) { ^ endianswap.h:136:13: warning: 'void PLMD::molfile::swap2_aligned(void*, long int)' defined but not used [-Wunused-function] static void swap2_aligned(void *v, long ndata) { ^ compiling pdbplugin.cpp PCAVars.cpp: In constructor 'PLMD::mapping::PCAVars::PCAVars(const PLMD::ActionOptions&)': PCAVars.cpp:296:14: warning: unused variable 'dist' [-Wunused-variable] double dist=myframes.getFrame(i)->calc( myref->getReferencePositions(), fake_pbc, getArguments(), myref->getReferenceArguments(), mypack, true ); ^ PCAVars.cpp:326:44: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] for(unsigned i=0;iresizeDerivatives(nder); ^ PCAVars.cpp: In member function 'virtual void PLMD::mapping::PCAVars::calculate()': PCAVars.cpp:366:46: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] for(unsigned i=0;i=3*iatom && bridgeVariable<(iatom+1)*3 ) tmp_p[bridgeVariable%3]+=sqrt(epsilon); ^ VolumeGradientBase.h:84:61: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if( bridgeVariable>=3*iatom && bridgeVariable<(iatom+1)*3 ) tmp_p[bridgeVariable%3]+=sqrt(epsilon); ^ MultiColvarBase.cpp: In member function 'void PLMD::multicolvar::MultiColvarBase::setupLinkCells()': MultiColvarBase.cpp:202:15: warning: unused variable 'justVolumes' [-Wunused-variable] bool justVolumes=true; ^ compiling DihedralCorrelation.cpp compiling Mapping.cpp Mapping.cpp: In member function 'virtual void PLMD::mapping::Mapping::prepare()': Mapping.cpp:141:16: warning: unused variable 'nfram' [-Wunused-variable] unsigned nfram=getNumberOfReferencePoints(); ^ Mapping.cpp: In member function 'virtual void PLMD::mapping::Mapping::calculateNumericalDerivatives(PLMD::ActionWithValue*)': Mapping.cpp:203:47: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] for(unsigned j=0;j=3*iatom && bridgeVariable<(iatom+1)*3 ) tmp_p[bridgeVariable%3]+=sqrt(epsilon); ^ VolumeGradientBase.h:84:61: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if( bridgeVariable>=3*iatom && bridgeVariable<(iatom+1)*3 ) tmp_p[bridgeVariable%3]+=sqrt(epsilon); ^ compiling SingleDomainRMSD.cpp compiling ReferenceArguments.cpp compiling AdjacencyMatrixAction.cpp compiling PointWiseMapping.cpp compiling OptimalRMSD.cpp AdjacencyMatrixAction.cpp: In constructor 'PLMD::multicolvar::AdjacencyMatrixAction::AdjacencyMatrixAction(const PLMD::ActionOptions&)': AdjacencyMatrixAction.cpp:56:20: warning: 'ibase' may be used uninitialized in this function [-Wmaybe-uninitialized] unsigned ibase; ^ AdjacencyMatrixAction.cpp: In constructor 'PLMD::multicolvar::AdjacencyMatrixAction::AdjacencyMatrixAction(const PLMD::ActionOptions&)': AdjacencyMatrixAction.cpp:56:20: warning: 'ibase' may be used uninitialized in this function [-Wmaybe-uninitialized] compiling MultiColvar.cpp compiling MultiReferenceBase.cpp MultiColvar.cpp: In member function 'void PLMD::multicolvar::MultiColvar::readAtomsLikeKeyword(const string&, int&, std::vector&)': MultiColvar.cpp:95:20: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if( t.size()!=natoms ){ ^ MultiColvar.cpp:99:25: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] for(unsigned j=0;j=3*iatom && bridgeVariable<(iatom+1)*3 ) tmp_p[bridgeVariable%3]+=sqrt(epsilon); ^ VolumeGradientBase.h:84:61: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if( bridgeVariable>=3*iatom && bridgeVariable<(iatom+1)*3 ) tmp_p[bridgeVariable%3]+=sqrt(epsilon); ^ compiling CoordinationNumbers.cpp make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/secondarystructure' compiling Density.cpp make -C ../setup obj make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/setup' compiling Units.cpp compiling MultiColvarFunction.cpp MultiColvarFunction.cpp: In member function 'virtual void PLMD::multicolvar::MultiColvarFunction::calculateNumericalDerivatives(PLMD::ActionWithValue*)': MultiColvarFunction.cpp:236:50: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] for(unsigned k=0;k=3*iatom && bridgeVariable<(iatom+1)*3 ) tmp_p[bridgeVariable%3]+=sqrt(epsilon); ^ VolumeGradientBase.h:84:61: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if( bridgeVariable>=3*iatom && bridgeVariable<(iatom+1)*3 ) tmp_p[bridgeVariable%3]+=sqrt(epsilon); ^ compiling Distances.cpp compiling XYDistances.cpp compiling AlphaBeta.cpp compiling NumberOfLinks.cpp compiling VolumeAround.cpp In file included from ActionVolume.h:26:0, from VolumeAround.cpp:24: VolumeGradientBase.h: In member function 'PLMD::Vector PLMD::multicolvar::VolumeGradientBase::getPosition(int) const': VolumeGradientBase.h:84:27: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if( bridgeVariable>=3*iatom && bridgeVariable<(iatom+1)*3 ) tmp_p[bridgeVariable%3]+=sqrt(epsilon); ^ VolumeGradientBase.h:84:61: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if( bridgeVariable>=3*iatom && bridgeVariable<(iatom+1)*3 ) tmp_p[bridgeVariable%3]+=sqrt(epsilon); ^ compiling ActionVolume.cpp In file included from ActionVolume.h:26:0, from ActionVolume.cpp:22: VolumeGradientBase.h: In member function 'PLMD::Vector PLMD::multicolvar::VolumeGradientBase::getPosition(int) const': VolumeGradientBase.h:84:27: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if( bridgeVariable>=3*iatom && bridgeVariable<(iatom+1)*3 ) tmp_p[bridgeVariable%3]+=sqrt(epsilon); ^ VolumeGradientBase.h:84:61: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if( bridgeVariable>=3*iatom && bridgeVariable<(iatom+1)*3 ) tmp_p[bridgeVariable%3]+=sqrt(epsilon); ^ compiling XDistances.cpp compiling VolumeTetrapore.cpp In file included from ActionVolume.h:26:0, from VolumeTetrapore.cpp:27: VolumeGradientBase.h: In member function 'PLMD::Vector PLMD::multicolvar::VolumeGradientBase::getPosition(int) const': VolumeGradientBase.h:84:27: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if( bridgeVariable>=3*iatom && bridgeVariable<(iatom+1)*3 ) tmp_p[bridgeVariable%3]+=sqrt(epsilon); ^ VolumeGradientBase.h:84:61: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if( bridgeVariable>=3*iatom && bridgeVariable<(iatom+1)*3 ) tmp_p[bridgeVariable%3]+=sqrt(epsilon); ^ compiling LocalAverage.cpp LocalAverage.cpp: In member function 'virtual double PLMD::multicolvar::LocalAverage::compute(const unsigned int&, PLMD::multicolvar::AtomValuePack&) const': LocalAverage.cpp:155:10: warning: variable 'catom_pos' set but not used [-Wunused-but-set-variable] Vector catom_pos=myatoms.getPosition(0); ^ compiling MultiColvarFilter.cpp make -C ../tools obj make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/tools' compiling Torsion.cpp compiling CubicInterpolation.cpp make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/multicolvar' make -C ../vatom obj make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/vatom' compiling Ghost.cpp CubicInterpolation.cpp: In member function 'unsigned int PLMD::CInterpolation::search1(const unsigned int&, const double&, const unsigned int&) const': CubicInterpolation.cpp:83:41: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] else if( ju>=(np[kk]-1)*inc ){ju=(np[kk]-1)*inc; break; } ^ compiling HistogramBead.cpp compiling COM.cpp compiling OFile.cpp compiling Center.cpp OFile.cpp: In constructor 'PLMD::OFile::OFile()': OFile.cpp:73:22: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] for(unsigned i=0;i=buflen-actual_buffer_length){ ^ OFile.cpp:103:21: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] while(newlen<=r+actual_buffer_length) newlen*=2; ^ In file included from OFile.cpp:23:0: OFile.cpp:115:35: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] plumed_massert(r>-1 && r PLMD::Grid::getNeighbors(const std::vector&, const std::vector&) const': Grid.cpp:280:30: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if(!pbc_[i] && i0>=nbin_[i]) continue; ^ Grid.cpp:282:30: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if( pbc_[i] && i0>=nbin_[i]) i0%=nbin_[i]; ^ compiling StoreDataVessel.cpp In file included from StoreDataVessel.cpp:22:0: StoreDataVessel.h: In constructor 'PLMD::vesselbase::StoreDataVessel::StoreDataVessel(const PLMD::vesselbase::VesselOptions&)': StoreDataVessel.h:61:8: warning: 'PLMD::vesselbase::StoreDataVessel::hard_cut' will be initialized after [-Wreorder] bool hard_cut; ^ StoreDataVessel.h:52:12: warning: 'unsigned int PLMD::vesselbase::StoreDataVessel::nspace' [-Wreorder] unsigned nspace; ^ StoreDataVessel.cpp:31:1: warning: when initialized here [-Wreorder] StoreDataVessel::StoreDataVessel( const VesselOptions& da ): ^ compiling Max.cpp compiling BridgeVessel.cpp BridgeVessel.cpp: In member function 'virtual void PLMD::vesselbase::BridgeVessel::setBufferStart(unsigned int&)': BridgeVessel.cpp:64:12: warning: unused variable 'tmp' [-Wunused-variable] unsigned tmp=myOutputAction->getSizeOfBuffer( start ); ^ compiling Between.cpp compiling Units.cpp compiling Tensor.cpp compiling OrderingVessel.cpp compiling BiasRepresentation.cpp compiling ShortcutVessel.cpp compiling Moments.cpp compiling Angle.cpp compiling FileBase.cpp compiling Min.cpp compiling OpenMP.cpp compiling RMSD.cpp RMSD.cpp: In member function 'std::vector > PLMD::RMSDCoreData::getDDistanceDReferenceSOMA()': RMSD.cpp:1057:10: warning: variable 't_ddist_drr01' set but not used [-Wunused-but-set-variable] Tensor t_ddist_drr01=ddist_drr01.transpose(); ^ compiling MoreThan.cpp compiling Histogram.cpp compiling ValueVessel.cpp compiling FunctionVessel.cpp compiling Mean.cpp compiling ActionWithInputVessel.cpp compiling Vessel.cpp compiling VesselRegister.cpp compiling NeighborList.cpp compiling Pbc.cpp compiling Highest.cpp compiling PDB.cpp compiling Sum.cpp make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/vesselbase' make -C ../wrapper obj make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/wrapper' compiling PlumedStatic.cpp compiling Plumed.c make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/wrapper' compiling IFile.cpp compiling LatticeReduction.cpp compiling Random.cpp compiling DLLoader.cpp compiling Log.cpp compiling Communicator.cpp compiling Citations.cpp compiling OptimalAlignment.cpp compiling MultiValue.cpp compiling MolDataClass.cpp compiling Tools.cpp compiling LinkCells.cpp compiling Keywords.cpp compiling Vector.cpp compiling SwitchingFunction.cpp compiling Exception.cpp make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/tools' make[5]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/lib' make[4]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/lib' make lib make[4]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/lib' g++ ../main/main.o ../analysis/Analysis.o ../analysis/AnalysisWithLandmarks.o ../analysis/ClassicalMultiDimensionalScaling.o ../analysis/ClassicalScaling.o ../analysis/Commit.o ../analysis/Histogram.o ../analysis/LandmarkRegister.o ../analysis/LandmarkSelectionBase.o ../analysis/SelectAllFrames.o ../bias/ABMD.o ../bias/Bias.o ../bias/BiasValue.o ../bias/ExtendedLagrangian.o ../bias/External.o ../bias/LWalls.o ../bias/MetaD.o ../bias/MovingRestraint.o ../bias/PBMetaD.o ../bias/Restraint.o ../bias/UWalls.o ../blas/blas.o ../cltools/Driver.o ../cltools/DriverDouble.o ../cltools/DriverFloat.o ../cltools/GenTemplate.o ../cltools/Info.o ../cltools/Manual.o ../cltools/SimpleMD.o ../cltools/SumHills.o ../cltools/kT.o ../colvar/Angle.o ../colvar/CH3Shifts.o ../colvar/CS2Backbone.o ../colvar/Cell.o ../colvar/Constant.o ../colvar/ContactMap.o ../colvar/Coordination.o ../colvar/CoordinationBase.o ../colvar/DHEnergy.o ../colvar/DRMSD.o ../colvar/Dipole.o ../colvar/Distance.o ../colvar/Energy.o ../colvar/Fake.o ../colvar/Gyration.o ../colvar/MultiRMSD.o ../colvar/NOE.o ../colvar/PCARMSD.o ../colvar/PathMSD.o ../colvar/PathMSDBase.o ../colvar/Position.o ../colvar/PropertyMap.o ../colvar/Puckering.o ../colvar/RDC.o ../colvar/RMSD.o ../colvar/Template.o ../colvar/Torsion.o ../colvar/Volume.o ../core/Action.o ../core/ActionAtomistic.o ../core/ActionPilot.o ../core/ActionRegister.o ../core/ActionSet.o ../core/ActionSetup.o ../core/ActionWithArguments.o ../core/ActionWithValue.o ../core/ActionWithVirtualAtom.o ../core/Atoms.o ../core/CLTool.o ../core/CLToolMain.o ../core/CLToolRegister.o ../core/Colvar.o ../core/ExchangePatterns.o ../core/FlexibleBin.o ../core/GREX.o ../core/MDAtoms.o ../core/PlumedMain.o ../core/PlumedMainInitializer.o ../core/SetupMolInfo.o ../core/TargetDist.o ../core/Value.o ../function/Combine.o ../function/Ensemble.o ../function/FuncPathMSD.o ../function/FuncSumHills.o ../function/Function.o ../function/Matheval.o ../function/Piecewise.o ../function/Sort.o ../function/Target.o ../generic/Debug.o ../generic/DumpAtoms.o ../generic/DumpDerivatives.o ../generic/DumpForces.o ../generic/DumpMassCharge.o ../generic/DumpProjections.o ../generic/EffectiveEnergyDrift.o ../generic/FitToTemplate.o ../generic/Flush.o ../generic/Group.o ../generic/Include.o ../generic/Print.o ../generic/RandomExchanges.o ../generic/Read.o ../generic/Time.o ../generic/WholeMolecules.o ../generic/WrapAround.o ../lapack/lapack.o ../mapping/Mapping.o ../mapping/PCAVars.o ../mapping/Path.o ../mapping/PathBase.o ../mapping/PropertyMap.o ../mapping/SpathVessel.o ../mapping/ZpathVessel.o ../molfile/crdplugin.o ../molfile/dcdplugin.o ../molfile/gromacsplugin.o ../molfile/pdbplugin.o ../multicolvar/ActionVolume.o ../multicolvar/AdjacencyMatrixAction.o ../multicolvar/AdjacencyMatrixVessel.o ../multicolvar/AlphaBeta.o ../multicolvar/Angles.o ../multicolvar/AtomValuePack.o ../multicolvar/Bridge.o ../multicolvar/BridgedMultiColvarFunction.o ../multicolvar/CatomPack.o ../multicolvar/CoordinationNumbers.o ../multicolvar/Density.o ../multicolvar/DihedralCorrelation.o ../multicolvar/Distances.o ../multicolvar/DumpMultiColvar.o ../multicolvar/FilterBetween.o ../multicolvar/FilterLessThan.o ../multicolvar/FilterMoreThan.o ../multicolvar/InPlaneDistances.o ../multicolvar/LocalAverage.o ../multicolvar/MultiColvar.o ../multicolvar/MultiColvarBase.o ../multicolvar/MultiColvarDensity.o ../multicolvar/MultiColvarFilter.o ../multicolvar/MultiColvarFunction.o ../multicolvar/NumberOfLinks.o ../multicolvar/Sprint.o ../multicolvar/Torsions.o ../multicolvar/VolumeAround.o ../multicolvar/VolumeCavity.o ../multicolvar/VolumeGradientBase.o ../multicolvar/VolumeInCylinder.o ../multicolvar/VolumeTetrapore.o ../multicolvar/XDistances.o ../multicolvar/XYDistances.o ../reference/ArgumentOnlyDistance.o ../reference/DRMSD.o ../reference/Direction.o ../reference/DotProductDistance.o ../reference/EuclideanDistance.o ../reference/MahalanobisDistance.o ../reference/MetricRegister.o ../reference/MultiDomainRMSD.o ../reference/MultiReferenceBase.o ../reference/NormalizedEuclideanDistance.o ../reference/OptimalRMSD.o ../reference/PointWiseMapping.o ../reference/RMSDBase.o ../reference/ReferenceArguments.o ../reference/ReferenceAtoms.o ../reference/ReferenceConfiguration.o ../reference/ReferenceValuePack.o ../reference/SimpleRMSD.o ../reference/SingleDomainRMSD.o ../secondarystructure/AlphaRMSD.o ../secondarystructure/AntibetaRMSD.o ../secondarystructure/ParabetaRMSD.o ../secondarystructure/SecondaryStructureRMSD.o ../setup/Load.o ../setup/MolInfo.o ../setup/Restart.o ../setup/Units.o ../tools/Angle.o ../tools/BiasRepresentation.o ../tools/Citations.o ../tools/Communicator.o ../tools/CubicInterpolation.o ../tools/DLLoader.o ../tools/Exception.o ../tools/FileBase.o ../tools/Grid.o ../tools/HistogramBead.o ../tools/IFile.o ../tools/Kearsley.o ../tools/KernelFunctions.o ../tools/Keywords.o ../tools/LatticeReduction.o ../tools/LinkCells.o ../tools/Log.o ../tools/MolDataClass.o ../tools/MultiValue.o ../tools/NeighborList.o ../tools/OFile.o ../tools/OpenMP.o ../tools/OptimalAlignment.o ../tools/PDB.o ../tools/Pbc.o ../tools/RMSD.o ../tools/Random.o ../tools/Stopwatch.o ../tools/SwitchingFunction.o ../tools/Tensor.o ../tools/Tools.o ../tools/Torsion.o ../tools/Units.o ../tools/Vector.o ../vatom/COM.o ../vatom/Center.o ../vatom/Ghost.o ../vesselbase/ActionWithInputVessel.o ../vesselbase/ActionWithVessel.o ../vesselbase/AltMin.o ../vesselbase/Between.o ../vesselbase/BridgeVessel.o ../vesselbase/FunctionVessel.o ../vesselbase/Highest.o ../vesselbase/Histogram.o ../vesselbase/LessThan.o ../vesselbase/Lowest.o ../vesselbase/Max.o ../vesselbase/Mean.o ../vesselbase/Min.o ../vesselbase/Moments.o ../vesselbase/MoreThan.o ../vesselbase/OrderingVessel.o ../vesselbase/ShortcutVessel.o ../vesselbase/StoreDataVessel.o ../vesselbase/Sum.o ../vesselbase/ValueVessel.o ../vesselbase/Vessel.o ../vesselbase/VesselRegister.o ../config/Config.o ../wrapper/PlumedStatic.o -o plumed -ldl -lz -lmatheval -ldl -lopenblas -Wl,--as-needed -rdynamic -fopenmp Building Plumed.inc chmod a+x plumed-mklib chmod a+x plumed-newcv chmod a+x plumed-patch g++ -shared -o libplumedKernel.so ../analysis/Analysis.o ../analysis/AnalysisWithLandmarks.o ../analysis/ClassicalMultiDimensionalScaling.o ../analysis/ClassicalScaling.o ../analysis/Commit.o ../analysis/Histogram.o ../analysis/LandmarkRegister.o ../analysis/LandmarkSelectionBase.o ../analysis/SelectAllFrames.o ../bias/ABMD.o ../bias/Bias.o ../bias/BiasValue.o ../bias/ExtendedLagrangian.o ../bias/External.o ../bias/LWalls.o ../bias/MetaD.o ../bias/MovingRestraint.o ../bias/PBMetaD.o ../bias/Restraint.o ../bias/UWalls.o ../blas/blas.o ../cltools/Driver.o ../cltools/DriverDouble.o ../cltools/DriverFloat.o ../cltools/GenTemplate.o ../cltools/Info.o ../cltools/Manual.o ../cltools/SimpleMD.o ../cltools/SumHills.o ../cltools/kT.o ../colvar/Angle.o ../colvar/CH3Shifts.o ../colvar/CS2Backbone.o ../colvar/Cell.o ../colvar/Constant.o ../colvar/ContactMap.o ../colvar/Coordination.o ../colvar/CoordinationBase.o ../colvar/DHEnergy.o ../colvar/DRMSD.o ../colvar/Dipole.o ../colvar/Distance.o ../colvar/Energy.o ../colvar/Fake.o ../colvar/Gyration.o ../colvar/MultiRMSD.o ../colvar/NOE.o ../colvar/PCARMSD.o ../colvar/PathMSD.o ../colvar/PathMSDBase.o ../colvar/Position.o ../colvar/PropertyMap.o ../colvar/Puckering.o ../colvar/RDC.o ../colvar/RMSD.o ../colvar/Template.o ../colvar/Torsion.o ../colvar/Volume.o ../core/Action.o ../core/ActionAtomistic.o ../core/ActionPilot.o ../core/ActionRegister.o ../core/ActionSet.o ../core/ActionSetup.o ../core/ActionWithArguments.o ../core/ActionWithValue.o ../core/ActionWithVirtualAtom.o ../core/Atoms.o ../core/CLTool.o ../core/CLToolMain.o ../core/CLToolRegister.o ../core/Colvar.o ../core/ExchangePatterns.o ../core/FlexibleBin.o ../core/GREX.o ../core/MDAtoms.o ../core/PlumedMain.o ../core/PlumedMainInitializer.o ../core/SetupMolInfo.o ../core/TargetDist.o ../core/Value.o ../function/Combine.o ../function/Ensemble.o ../function/FuncPathMSD.o ../function/FuncSumHills.o ../function/Function.o ../function/Matheval.o ../function/Piecewise.o ../function/Sort.o ../function/Target.o ../generic/Debug.o ../generic/DumpAtoms.o ../generic/DumpDerivatives.o ../generic/DumpForces.o ../generic/DumpMassCharge.o ../generic/DumpProjections.o ../generic/EffectiveEnergyDrift.o ../generic/FitToTemplate.o ../generic/Flush.o ../generic/Group.o ../generic/Include.o ../generic/Print.o ../generic/RandomExchanges.o ../generic/Read.o ../generic/Time.o ../generic/WholeMolecules.o ../generic/WrapAround.o ../lapack/lapack.o ../mapping/Mapping.o ../mapping/PCAVars.o ../mapping/Path.o ../mapping/PathBase.o ../mapping/PropertyMap.o ../mapping/SpathVessel.o ../mapping/ZpathVessel.o ../molfile/crdplugin.o ../molfile/dcdplugin.o ../molfile/gromacsplugin.o ../molfile/pdbplugin.o ../multicolvar/ActionVolume.o ../multicolvar/AdjacencyMatrixAction.o ../multicolvar/AdjacencyMatrixVessel.o ../multicolvar/AlphaBeta.o ../multicolvar/Angles.o ../multicolvar/AtomValuePack.o ../multicolvar/Bridge.o ../multicolvar/BridgedMultiColvarFunction.o ../multicolvar/CatomPack.o ../multicolvar/CoordinationNumbers.o ../multicolvar/Density.o ../multicolvar/DihedralCorrelation.o ../multicolvar/Distances.o ../multicolvar/DumpMultiColvar.o ../multicolvar/FilterBetween.o ../multicolvar/FilterLessThan.o ../multicolvar/FilterMoreThan.o ../multicolvar/InPlaneDistances.o ../multicolvar/LocalAverage.o ../multicolvar/MultiColvar.o ../multicolvar/MultiColvarBase.o ../multicolvar/MultiColvarDensity.o ../multicolvar/MultiColvarFilter.o ../multicolvar/MultiColvarFunction.o ../multicolvar/NumberOfLinks.o ../multicolvar/Sprint.o ../multicolvar/Torsions.o ../multicolvar/VolumeAround.o ../multicolvar/VolumeCavity.o ../multicolvar/VolumeGradientBase.o ../multicolvar/VolumeInCylinder.o ../multicolvar/VolumeTetrapore.o ../multicolvar/XDistances.o ../multicolvar/XYDistances.o ../reference/ArgumentOnlyDistance.o ../reference/DRMSD.o ../reference/Direction.o ../reference/DotProductDistance.o ../reference/EuclideanDistance.o ../reference/MahalanobisDistance.o ../reference/MetricRegister.o ../reference/MultiDomainRMSD.o ../reference/MultiReferenceBase.o ../reference/NormalizedEuclideanDistance.o ../reference/OptimalRMSD.o ../reference/PointWiseMapping.o ../reference/RMSDBase.o ../reference/ReferenceArguments.o ../reference/ReferenceAtoms.o ../reference/ReferenceConfiguration.o ../reference/ReferenceValuePack.o ../reference/SimpleRMSD.o ../reference/SingleDomainRMSD.o ../secondarystructure/AlphaRMSD.o ../secondarystructure/AntibetaRMSD.o ../secondarystructure/ParabetaRMSD.o ../secondarystructure/SecondaryStructureRMSD.o ../setup/Load.o ../setup/MolInfo.o ../setup/Restart.o ../setup/Units.o ../tools/Angle.o ../tools/BiasRepresentation.o ../tools/Citations.o ../tools/Communicator.o ../tools/CubicInterpolation.o ../tools/DLLoader.o ../tools/Exception.o ../tools/FileBase.o ../tools/Grid.o ../tools/HistogramBead.o ../tools/IFile.o ../tools/Kearsley.o ../tools/KernelFunctions.o ../tools/Keywords.o ../tools/LatticeReduction.o ../tools/LinkCells.o ../tools/Log.o ../tools/MolDataClass.o ../tools/MultiValue.o ../tools/NeighborList.o ../tools/OFile.o ../tools/OpenMP.o ../tools/OptimalAlignment.o ../tools/PDB.o ../tools/Pbc.o ../tools/RMSD.o ../tools/Random.o ../tools/Stopwatch.o ../tools/SwitchingFunction.o ../tools/Tensor.o ../tools/Tools.o ../tools/Torsion.o ../tools/Units.o ../tools/Vector.o ../vatom/COM.o ../vatom/Center.o ../vatom/Ghost.o ../vesselbase/ActionWithInputVessel.o ../vesselbase/ActionWithVessel.o ../vesselbase/AltMin.o ../vesselbase/Between.o ../vesselbase/BridgeVessel.o ../vesselbase/FunctionVessel.o ../vesselbase/Highest.o ../vesselbase/Histogram.o ../vesselbase/LessThan.o ../vesselbase/Lowest.o ../vesselbase/Max.o ../vesselbase/Mean.o ../vesselbase/Min.o ../vesselbase/Moments.o ../vesselbase/MoreThan.o ../vesselbase/OrderingVessel.o ../vesselbase/ShortcutVessel.o ../vesselbase/StoreDataVessel.o ../vesselbase/Sum.o ../vesselbase/ValueVessel.o ../vesselbase/Vessel.o ../vesselbase/VesselRegister.o ../config/Config.o -lz -lmatheval -ldl -lopenblas -Wl,--as-needed -rdynamic -fopenmp g++ -shared -o libplumed.so ../analysis/Analysis.o ../analysis/AnalysisWithLandmarks.o ../analysis/ClassicalMultiDimensionalScaling.o ../analysis/ClassicalScaling.o ../analysis/Commit.o ../analysis/Histogram.o ../analysis/LandmarkRegister.o ../analysis/LandmarkSelectionBase.o ../analysis/SelectAllFrames.o ../bias/ABMD.o ../bias/Bias.o ../bias/BiasValue.o ../bias/ExtendedLagrangian.o ../bias/External.o ../bias/LWalls.o ../bias/MetaD.o ../bias/MovingRestraint.o ../bias/PBMetaD.o ../bias/Restraint.o ../bias/UWalls.o ../blas/blas.o ../cltools/Driver.o ../cltools/DriverDouble.o ../cltools/DriverFloat.o ../cltools/GenTemplate.o ../cltools/Info.o ../cltools/Manual.o ../cltools/SimpleMD.o ../cltools/SumHills.o ../cltools/kT.o ../colvar/Angle.o ../colvar/CH3Shifts.o ../colvar/CS2Backbone.o ../colvar/Cell.o ../colvar/Constant.o ../colvar/ContactMap.o ../colvar/Coordination.o ../colvar/CoordinationBase.o ../colvar/DHEnergy.o ../colvar/DRMSD.o ../colvar/Dipole.o ../colvar/Distance.o ../colvar/Energy.o ../colvar/Fake.o ../colvar/Gyration.o ../colvar/MultiRMSD.o ../colvar/NOE.o ../colvar/PCARMSD.o ../colvar/PathMSD.o ../colvar/PathMSDBase.o ../colvar/Position.o ../colvar/PropertyMap.o ../colvar/Puckering.o ../colvar/RDC.o ../colvar/RMSD.o ../colvar/Template.o ../colvar/Torsion.o ../colvar/Volume.o ../core/Action.o ../core/ActionAtomistic.o ../core/ActionPilot.o ../core/ActionRegister.o ../core/ActionSet.o ../core/ActionSetup.o ../core/ActionWithArguments.o ../core/ActionWithValue.o ../core/ActionWithVirtualAtom.o ../core/Atoms.o ../core/CLTool.o ../core/CLToolMain.o ../core/CLToolRegister.o ../core/Colvar.o ../core/ExchangePatterns.o ../core/FlexibleBin.o ../core/GREX.o ../core/MDAtoms.o ../core/PlumedMain.o ../core/PlumedMainInitializer.o ../core/SetupMolInfo.o ../core/TargetDist.o ../core/Value.o ../function/Combine.o ../function/Ensemble.o ../function/FuncPathMSD.o ../function/FuncSumHills.o ../function/Function.o ../function/Matheval.o ../function/Piecewise.o ../function/Sort.o ../function/Target.o ../generic/Debug.o ../generic/DumpAtoms.o ../generic/DumpDerivatives.o ../generic/DumpForces.o ../generic/DumpMassCharge.o ../generic/DumpProjections.o ../generic/EffectiveEnergyDrift.o ../generic/FitToTemplate.o ../generic/Flush.o ../generic/Group.o ../generic/Include.o ../generic/Print.o ../generic/RandomExchanges.o ../generic/Read.o ../generic/Time.o ../generic/WholeMolecules.o ../generic/WrapAround.o ../lapack/lapack.o ../mapping/Mapping.o ../mapping/PCAVars.o ../mapping/Path.o ../mapping/PathBase.o ../mapping/PropertyMap.o ../mapping/SpathVessel.o ../mapping/ZpathVessel.o ../molfile/crdplugin.o ../molfile/dcdplugin.o ../molfile/gromacsplugin.o ../molfile/pdbplugin.o ../multicolvar/ActionVolume.o ../multicolvar/AdjacencyMatrixAction.o ../multicolvar/AdjacencyMatrixVessel.o ../multicolvar/AlphaBeta.o ../multicolvar/Angles.o ../multicolvar/AtomValuePack.o ../multicolvar/Bridge.o ../multicolvar/BridgedMultiColvarFunction.o ../multicolvar/CatomPack.o ../multicolvar/CoordinationNumbers.o ../multicolvar/Density.o ../multicolvar/DihedralCorrelation.o ../multicolvar/Distances.o ../multicolvar/DumpMultiColvar.o ../multicolvar/FilterBetween.o ../multicolvar/FilterLessThan.o ../multicolvar/FilterMoreThan.o ../multicolvar/InPlaneDistances.o ../multicolvar/LocalAverage.o ../multicolvar/MultiColvar.o ../multicolvar/MultiColvarBase.o ../multicolvar/MultiColvarDensity.o ../multicolvar/MultiColvarFilter.o ../multicolvar/MultiColvarFunction.o ../multicolvar/NumberOfLinks.o ../multicolvar/Sprint.o ../multicolvar/Torsions.o ../multicolvar/VolumeAround.o ../multicolvar/VolumeCavity.o ../multicolvar/VolumeGradientBase.o ../multicolvar/VolumeInCylinder.o ../multicolvar/VolumeTetrapore.o ../multicolvar/XDistances.o ../multicolvar/XYDistances.o ../reference/ArgumentOnlyDistance.o ../reference/DRMSD.o ../reference/Direction.o ../reference/DotProductDistance.o ../reference/EuclideanDistance.o ../reference/MahalanobisDistance.o ../reference/MetricRegister.o ../reference/MultiDomainRMSD.o ../reference/MultiReferenceBase.o ../reference/NormalizedEuclideanDistance.o ../reference/OptimalRMSD.o ../reference/PointWiseMapping.o ../reference/RMSDBase.o ../reference/ReferenceArguments.o ../reference/ReferenceAtoms.o ../reference/ReferenceConfiguration.o ../reference/ReferenceValuePack.o ../reference/SimpleRMSD.o ../reference/SingleDomainRMSD.o ../secondarystructure/AlphaRMSD.o ../secondarystructure/AntibetaRMSD.o ../secondarystructure/ParabetaRMSD.o ../secondarystructure/SecondaryStructureRMSD.o ../setup/Load.o ../setup/MolInfo.o ../setup/Restart.o ../setup/Units.o ../tools/Angle.o ../tools/BiasRepresentation.o ../tools/Citations.o ../tools/Communicator.o ../tools/CubicInterpolation.o ../tools/DLLoader.o ../tools/Exception.o ../tools/FileBase.o ../tools/Grid.o ../tools/HistogramBead.o ../tools/IFile.o ../tools/Kearsley.o ../tools/KernelFunctions.o ../tools/Keywords.o ../tools/LatticeReduction.o ../tools/LinkCells.o ../tools/Log.o ../tools/MolDataClass.o ../tools/MultiValue.o ../tools/NeighborList.o ../tools/OFile.o ../tools/OpenMP.o ../tools/OptimalAlignment.o ../tools/PDB.o ../tools/Pbc.o ../tools/RMSD.o ../tools/Random.o ../tools/Stopwatch.o ../tools/SwitchingFunction.o ../tools/Tensor.o ../tools/Tools.o ../tools/Torsion.o ../tools/Units.o ../tools/Vector.o ../vatom/COM.o ../vatom/Center.o ../vatom/Ghost.o ../vesselbase/ActionWithInputVessel.o ../vesselbase/ActionWithVessel.o ../vesselbase/AltMin.o ../vesselbase/Between.o ../vesselbase/BridgeVessel.o ../vesselbase/FunctionVessel.o ../vesselbase/Highest.o ../vesselbase/Histogram.o ../vesselbase/LessThan.o ../vesselbase/Lowest.o ../vesselbase/Max.o ../vesselbase/Mean.o ../vesselbase/Min.o ../vesselbase/Moments.o ../vesselbase/MoreThan.o ../vesselbase/OrderingVessel.o ../vesselbase/ShortcutVessel.o ../vesselbase/StoreDataVessel.o ../vesselbase/Sum.o ../vesselbase/ValueVessel.o ../vesselbase/Vessel.o ../vesselbase/VesselRegister.o ../config/Config.o ../wrapper/PlumedStatic.o -lz -lmatheval -ldl -lopenblas -Wl,--as-needed -rdynamic -fopenmp g++ ../main/main.o ../wrapper/Plumed.o -o plumed-runtime -ldl Building Plumed.inc, runtime-linking version Building Plumed.inc, shared version Building Plumed.inc, static version Building Plumed.cmake Building Plumed.cmake, static version Building Plumed.cmake, runtime-linking version Building Plumed.cmake, shared version g++ ../main/main.o "/builddir/build/BUILD/plumed-2.2.1/serial/src/lib/libplumed.so" -o plumed-shared -ldl make[4]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/lib' make install-build make[4]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/lib' mkdir -p install/ make PLUMED_INSTALL=Install all make[5]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/lib' make dirslinks make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/lib' *** Updating links to used modules in all directories *** make ../analysis.links ../bias.links ../blas.links ../cltools.links ../colvar.links ../config.links ../core.links ../function.links ../generic.links ../lapack.links ../main.links ../mapping.links ../molfile.links ../multicolvar.links ../reference.links ../secondarystructure.links ../setup.links ../tools.links ../vatom.links ../vesselbase.links ../wrapper.links make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/lib' make -C ../analysis links make -C ../bias links make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/bias' make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/analysis' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/serial/src/analysis Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/serial/src/bias make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/bias' make -C ../blas links make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/blas' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/serial/src/blas make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/blas' make -C ../cltools links make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/cltools' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/serial/src/cltools make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/analysis' make -C ../colvar links make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/colvar' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/serial/src/colvar make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/cltools' make -C ../config links make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/config' Nothing to do in /builddir/build/BUILD/plumed-2.2.1/serial/src/config make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/config' make -C ../core links make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/core' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/serial/src/core make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/colvar' make -C ../function links make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/function' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/serial/src/function make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/core' make -C ../generic links make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/generic' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/serial/src/generic make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/function' make -C ../lapack links make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/lapack' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/serial/src/lapack make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/generic' make -C ../main links make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/main' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/serial/src/main make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/lapack' make -C ../mapping links make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/main' make -C ../molfile links make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/molfile' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/serial/src/molfile make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/mapping' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/serial/src/mapping make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/molfile' make -C ../multicolvar links make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/multicolvar' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/serial/src/multicolvar make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/mapping' make -C ../reference links make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/multicolvar' make -C ../secondarystructure links make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/secondarystructure' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/serial/src/secondarystructure make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/reference' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/serial/src/reference make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/reference' make -C ../setup links make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/setup' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/serial/src/setup make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/secondarystructure' make -C ../tools links make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/tools' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/serial/src/tools make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/setup' make -C ../vatom links make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/tools' make -C ../vesselbase links make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/vatom' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/serial/src/vatom make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/vesselbase' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/serial/src/vesselbase make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/vatom' make -C ../wrapper links make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/wrapper' Nothing to do in /builddir/build/BUILD/plumed-2.2.1/serial/src/wrapper make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/wrapper' make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/vesselbase' make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/lib' make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/lib' make dirs make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/lib' *** Compiling all directories *** make ../analysis ../bias ../blas ../cltools ../colvar ../config ../core ../function ../generic ../lapack ../main ../mapping ../molfile ../multicolvar ../reference ../secondarystructure ../setup ../tools ../vatom ../vesselbase ../wrapper make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/lib' make -C ../analysis obj make -C ../bias obj make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/bias' make[8]: Nothing to be done for `obj'. make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/bias' make -C ../blas obj make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/blas' make[8]: Nothing to be done for `obj'. make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/blas' make -C ../cltools obj make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/analysis' make[8]: Nothing to be done for `obj'. make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/analysis' make -C ../colvar obj make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/cltools' make[8]: Nothing to be done for `obj'. make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/cltools' make -C ../config obj make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/config' make PLUMED_FORCE=yes ConfigInstall.cpp Config.cpp version.h make[9]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/config' Updating ConfigInstall.cpp make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/colvar' make[8]: Nothing to be done for `obj'. cmp -s ConfigInstall.cpp~ ConfigInstall.cpp || cp ConfigInstall.cpp~ ConfigInstall.cpp make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/colvar' Updating Config.cpp rm ConfigInstall.cpp~ Updating version.h cmp -s Config.cpp~ Config.cpp || cp Config.cpp~ Config.cpp rm Config.cpp~ make -C ../core obj make[9]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/config' make Config.o ConfigInstall.o compile_options.sh make[9]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/config' make[9]: `Config.o' is up to date. make[9]: `ConfigInstall.o' is up to date. make[9]: `compile_options.sh' is up to date. make[9]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/config' make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/config' make -C ../function obj make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/function' make[8]: Nothing to be done for `obj'. make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/function' make -C ../generic obj make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/core' make[8]: Nothing to be done for `obj'. make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/core' make -C ../lapack obj make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/lapack' make[8]: Nothing to be done for `obj'. make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/lapack' make -C ../main obj make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/main' make[8]: Nothing to be done for `obj'. make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/main' make -C ../mapping obj make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/generic' make[8]: Nothing to be done for `obj'. make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/generic' make -C ../molfile obj make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/molfile' make[8]: Nothing to be done for `obj'. make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/molfile' make -C ../multicolvar obj make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/mapping' make[8]: Nothing to be done for `obj'. make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/mapping' make -C ../reference obj make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/reference' make[8]: Nothing to be done for `obj'. make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/reference' make -C ../secondarystructure obj make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/secondarystructure' make[8]: Nothing to be done for `obj'. make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/secondarystructure' make -C ../setup obj make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/multicolvar' make[8]: Nothing to be done for `obj'. make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/multicolvar' make -C ../tools obj make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/setup' make[8]: Nothing to be done for `obj'. make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/setup' make -C ../vatom obj make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/vatom' make[8]: Nothing to be done for `obj'. make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/vatom' make -C ../vesselbase obj make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/tools' make[8]: Nothing to be done for `obj'. make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/tools' make -C ../wrapper obj make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/wrapper' make[8]: Nothing to be done for `obj'. make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/wrapper' make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/vesselbase' make[8]: Nothing to be done for `obj'. make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/vesselbase' make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/lib' make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/lib' make lib make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/lib' g++ ../main/main.o ../analysis/Analysis.o ../analysis/AnalysisWithLandmarks.o ../analysis/ClassicalMultiDimensionalScaling.o ../analysis/ClassicalScaling.o ../analysis/Commit.o ../analysis/Histogram.o ../analysis/LandmarkRegister.o ../analysis/LandmarkSelectionBase.o ../analysis/SelectAllFrames.o ../bias/ABMD.o ../bias/Bias.o ../bias/BiasValue.o ../bias/ExtendedLagrangian.o ../bias/External.o ../bias/LWalls.o ../bias/MetaD.o ../bias/MovingRestraint.o ../bias/PBMetaD.o ../bias/Restraint.o ../bias/UWalls.o ../blas/blas.o ../cltools/Driver.o ../cltools/DriverDouble.o ../cltools/DriverFloat.o ../cltools/GenTemplate.o ../cltools/Info.o ../cltools/Manual.o ../cltools/SimpleMD.o ../cltools/SumHills.o ../cltools/kT.o ../colvar/Angle.o ../colvar/CH3Shifts.o ../colvar/CS2Backbone.o ../colvar/Cell.o ../colvar/Constant.o ../colvar/ContactMap.o ../colvar/Coordination.o ../colvar/CoordinationBase.o ../colvar/DHEnergy.o ../colvar/DRMSD.o ../colvar/Dipole.o ../colvar/Distance.o ../colvar/Energy.o ../colvar/Fake.o ../colvar/Gyration.o ../colvar/MultiRMSD.o ../colvar/NOE.o ../colvar/PCARMSD.o ../colvar/PathMSD.o ../colvar/PathMSDBase.o ../colvar/Position.o ../colvar/PropertyMap.o ../colvar/Puckering.o ../colvar/RDC.o ../colvar/RMSD.o ../colvar/Template.o ../colvar/Torsion.o ../colvar/Volume.o ../core/Action.o ../core/ActionAtomistic.o ../core/ActionPilot.o ../core/ActionRegister.o ../core/ActionSet.o ../core/ActionSetup.o ../core/ActionWithArguments.o ../core/ActionWithValue.o ../core/ActionWithVirtualAtom.o ../core/Atoms.o ../core/CLTool.o ../core/CLToolMain.o ../core/CLToolRegister.o ../core/Colvar.o ../core/ExchangePatterns.o ../core/FlexibleBin.o ../core/GREX.o ../core/MDAtoms.o ../core/PlumedMain.o ../core/PlumedMainInitializer.o ../core/SetupMolInfo.o ../core/TargetDist.o ../core/Value.o ../function/Combine.o ../function/Ensemble.o ../function/FuncPathMSD.o ../function/FuncSumHills.o ../function/Function.o ../function/Matheval.o ../function/Piecewise.o ../function/Sort.o ../function/Target.o ../generic/Debug.o ../generic/DumpAtoms.o ../generic/DumpDerivatives.o ../generic/DumpForces.o ../generic/DumpMassCharge.o ../generic/DumpProjections.o ../generic/EffectiveEnergyDrift.o ../generic/FitToTemplate.o ../generic/Flush.o ../generic/Group.o ../generic/Include.o ../generic/Print.o ../generic/RandomExchanges.o ../generic/Read.o ../generic/Time.o ../generic/WholeMolecules.o ../generic/WrapAround.o ../lapack/lapack.o ../mapping/Mapping.o ../mapping/PCAVars.o ../mapping/Path.o ../mapping/PathBase.o ../mapping/PropertyMap.o ../mapping/SpathVessel.o ../mapping/ZpathVessel.o ../molfile/crdplugin.o ../molfile/dcdplugin.o ../molfile/gromacsplugin.o ../molfile/pdbplugin.o ../multicolvar/ActionVolume.o ../multicolvar/AdjacencyMatrixAction.o ../multicolvar/AdjacencyMatrixVessel.o ../multicolvar/AlphaBeta.o ../multicolvar/Angles.o ../multicolvar/AtomValuePack.o ../multicolvar/Bridge.o ../multicolvar/BridgedMultiColvarFunction.o ../multicolvar/CatomPack.o ../multicolvar/CoordinationNumbers.o ../multicolvar/Density.o ../multicolvar/DihedralCorrelation.o ../multicolvar/Distances.o ../multicolvar/DumpMultiColvar.o ../multicolvar/FilterBetween.o ../multicolvar/FilterLessThan.o ../multicolvar/FilterMoreThan.o ../multicolvar/InPlaneDistances.o ../multicolvar/LocalAverage.o ../multicolvar/MultiColvar.o ../multicolvar/MultiColvarBase.o ../multicolvar/MultiColvarDensity.o ../multicolvar/MultiColvarFilter.o ../multicolvar/MultiColvarFunction.o ../multicolvar/NumberOfLinks.o ../multicolvar/Sprint.o ../multicolvar/Torsions.o ../multicolvar/VolumeAround.o ../multicolvar/VolumeCavity.o ../multicolvar/VolumeGradientBase.o ../multicolvar/VolumeInCylinder.o ../multicolvar/VolumeTetrapore.o ../multicolvar/XDistances.o ../multicolvar/XYDistances.o ../reference/ArgumentOnlyDistance.o ../reference/DRMSD.o ../reference/Direction.o ../reference/DotProductDistance.o ../reference/EuclideanDistance.o ../reference/MahalanobisDistance.o ../reference/MetricRegister.o ../reference/MultiDomainRMSD.o ../reference/MultiReferenceBase.o ../reference/NormalizedEuclideanDistance.o ../reference/OptimalRMSD.o ../reference/PointWiseMapping.o ../reference/RMSDBase.o ../reference/ReferenceArguments.o ../reference/ReferenceAtoms.o ../reference/ReferenceConfiguration.o ../reference/ReferenceValuePack.o ../reference/SimpleRMSD.o ../reference/SingleDomainRMSD.o ../secondarystructure/AlphaRMSD.o ../secondarystructure/AntibetaRMSD.o ../secondarystructure/ParabetaRMSD.o ../secondarystructure/SecondaryStructureRMSD.o ../setup/Load.o ../setup/MolInfo.o ../setup/Restart.o ../setup/Units.o ../tools/Angle.o ../tools/BiasRepresentation.o ../tools/Citations.o ../tools/Communicator.o ../tools/CubicInterpolation.o ../tools/DLLoader.o ../tools/Exception.o ../tools/FileBase.o ../tools/Grid.o ../tools/HistogramBead.o ../tools/IFile.o ../tools/Kearsley.o ../tools/KernelFunctions.o ../tools/Keywords.o ../tools/LatticeReduction.o ../tools/LinkCells.o ../tools/Log.o ../tools/MolDataClass.o ../tools/MultiValue.o ../tools/NeighborList.o ../tools/OFile.o ../tools/OpenMP.o ../tools/OptimalAlignment.o ../tools/PDB.o ../tools/Pbc.o ../tools/RMSD.o ../tools/Random.o ../tools/Stopwatch.o ../tools/SwitchingFunction.o ../tools/Tensor.o ../tools/Tools.o ../tools/Torsion.o ../tools/Units.o ../tools/Vector.o ../vatom/COM.o ../vatom/Center.o ../vatom/Ghost.o ../vesselbase/ActionWithInputVessel.o ../vesselbase/ActionWithVessel.o ../vesselbase/AltMin.o ../vesselbase/Between.o ../vesselbase/BridgeVessel.o ../vesselbase/FunctionVessel.o ../vesselbase/Highest.o ../vesselbase/Histogram.o ../vesselbase/LessThan.o ../vesselbase/Lowest.o ../vesselbase/Max.o ../vesselbase/Mean.o ../vesselbase/Min.o ../vesselbase/Moments.o ../vesselbase/MoreThan.o ../vesselbase/OrderingVessel.o ../vesselbase/ShortcutVessel.o ../vesselbase/StoreDataVessel.o ../vesselbase/Sum.o ../vesselbase/ValueVessel.o ../vesselbase/Vessel.o ../vesselbase/VesselRegister.o ../config/ConfigInstall.o ../wrapper/PlumedStatic.o -o install/plumed -ldl -lz -lmatheval -ldl -lopenblas -Wl,--as-needed -rdynamic -fopenmp Building Plumed.inc chmod a+x install/plumed-mklib chmod a+x install/plumed-newcv chmod a+x install/plumed-patch mkdir -p install cd install && g++ -shared -o libplumedKernel.so ../../analysis/Analysis.o ../../analysis/AnalysisWithLandmarks.o ../../analysis/ClassicalMultiDimensionalScaling.o ../../analysis/ClassicalScaling.o ../../analysis/Commit.o ../../analysis/Histogram.o ../../analysis/LandmarkRegister.o ../../analysis/LandmarkSelectionBase.o ../../analysis/SelectAllFrames.o ../../bias/ABMD.o ../../bias/Bias.o ../../bias/BiasValue.o ../../bias/ExtendedLagrangian.o ../../bias/External.o ../../bias/LWalls.o ../../bias/MetaD.o ../../bias/MovingRestraint.o ../../bias/PBMetaD.o ../../bias/Restraint.o ../../bias/UWalls.o ../../blas/blas.o ../../cltools/Driver.o ../../cltools/DriverDouble.o ../../cltools/DriverFloat.o ../../cltools/GenTemplate.o ../../cltools/Info.o ../../cltools/Manual.o ../../cltools/SimpleMD.o ../../cltools/SumHills.o ../../cltools/kT.o ../../colvar/Angle.o ../../colvar/CH3Shifts.o ../../colvar/CS2Backbone.o ../../colvar/Cell.o ../../colvar/Constant.o ../../colvar/ContactMap.o ../../colvar/Coordination.o ../../colvar/CoordinationBase.o ../../colvar/DHEnergy.o ../../colvar/DRMSD.o ../../colvar/Dipole.o ../../colvar/Distance.o ../../colvar/Energy.o ../../colvar/Fake.o ../../colvar/Gyration.o ../../colvar/MultiRMSD.o ../../colvar/NOE.o ../../colvar/PCARMSD.o ../../colvar/PathMSD.o ../../colvar/PathMSDBase.o ../../colvar/Position.o ../../colvar/PropertyMap.o ../../colvar/Puckering.o ../../colvar/RDC.o ../../colvar/RMSD.o ../../colvar/Template.o ../../colvar/Torsion.o ../../colvar/Volume.o ../../core/Action.o ../../core/ActionAtomistic.o ../../core/ActionPilot.o ../../core/ActionRegister.o ../../core/ActionSet.o ../../core/ActionSetup.o ../../core/ActionWithArguments.o ../../core/ActionWithValue.o ../../core/ActionWithVirtualAtom.o ../../core/Atoms.o ../../core/CLTool.o ../../core/CLToolMain.o ../../core/CLToolRegister.o ../../core/Colvar.o ../../core/ExchangePatterns.o ../../core/FlexibleBin.o ../../core/GREX.o ../../core/MDAtoms.o ../../core/PlumedMain.o ../../core/PlumedMainInitializer.o ../../core/SetupMolInfo.o ../../core/TargetDist.o ../../core/Value.o ../../function/Combine.o ../../function/Ensemble.o ../../function/FuncPathMSD.o ../../function/FuncSumHills.o ../../function/Function.o ../../function/Matheval.o ../../function/Piecewise.o ../../function/Sort.o ../../function/Target.o ../../generic/Debug.o ../../generic/DumpAtoms.o ../../generic/DumpDerivatives.o ../../generic/DumpForces.o ../../generic/DumpMassCharge.o ../../generic/DumpProjections.o ../../generic/EffectiveEnergyDrift.o ../../generic/FitToTemplate.o ../../generic/Flush.o ../../generic/Group.o ../../generic/Include.o ../../generic/Print.o ../../generic/RandomExchanges.o ../../generic/Read.o ../../generic/Time.o ../../generic/WholeMolecules.o ../../generic/WrapAround.o ../../lapack/lapack.o ../../mapping/Mapping.o ../../mapping/PCAVars.o ../../mapping/Path.o ../../mapping/PathBase.o ../../mapping/PropertyMap.o ../../mapping/SpathVessel.o ../../mapping/ZpathVessel.o ../../molfile/crdplugin.o ../../molfile/dcdplugin.o ../../molfile/gromacsplugin.o ../../molfile/pdbplugin.o ../../multicolvar/ActionVolume.o ../../multicolvar/AdjacencyMatrixAction.o ../../multicolvar/AdjacencyMatrixVessel.o ../../multicolvar/AlphaBeta.o ../../multicolvar/Angles.o ../../multicolvar/AtomValuePack.o ../../multicolvar/Bridge.o ../../multicolvar/BridgedMultiColvarFunction.o ../../multicolvar/CatomPack.o ../../multicolvar/CoordinationNumbers.o ../../multicolvar/Density.o ../../multicolvar/DihedralCorrelation.o ../../multicolvar/Distances.o ../../multicolvar/DumpMultiColvar.o ../../multicolvar/FilterBetween.o ../../multicolvar/FilterLessThan.o ../../multicolvar/FilterMoreThan.o ../../multicolvar/InPlaneDistances.o ../../multicolvar/LocalAverage.o ../../multicolvar/MultiColvar.o ../../multicolvar/MultiColvarBase.o ../../multicolvar/MultiColvarDensity.o ../../multicolvar/MultiColvarFilter.o ../../multicolvar/MultiColvarFunction.o ../../multicolvar/NumberOfLinks.o ../../multicolvar/Sprint.o ../../multicolvar/Torsions.o ../../multicolvar/VolumeAround.o ../../multicolvar/VolumeCavity.o ../../multicolvar/VolumeGradientBase.o ../../multicolvar/VolumeInCylinder.o ../../multicolvar/VolumeTetrapore.o ../../multicolvar/XDistances.o ../../multicolvar/XYDistances.o ../../reference/ArgumentOnlyDistance.o ../../reference/DRMSD.o ../../reference/Direction.o ../../reference/DotProductDistance.o ../../reference/EuclideanDistance.o ../../reference/MahalanobisDistance.o ../../reference/MetricRegister.o ../../reference/MultiDomainRMSD.o ../../reference/MultiReferenceBase.o ../../reference/NormalizedEuclideanDistance.o ../../reference/OptimalRMSD.o ../../reference/PointWiseMapping.o ../../reference/RMSDBase.o ../../reference/ReferenceArguments.o ../../reference/ReferenceAtoms.o ../../reference/ReferenceConfiguration.o ../../reference/ReferenceValuePack.o ../../reference/SimpleRMSD.o ../../reference/SingleDomainRMSD.o ../../secondarystructure/AlphaRMSD.o ../../secondarystructure/AntibetaRMSD.o ../../secondarystructure/ParabetaRMSD.o ../../secondarystructure/SecondaryStructureRMSD.o ../../setup/Load.o ../../setup/MolInfo.o ../../setup/Restart.o ../../setup/Units.o ../../tools/Angle.o ../../tools/BiasRepresentation.o ../../tools/Citations.o ../../tools/Communicator.o ../../tools/CubicInterpolation.o ../../tools/DLLoader.o ../../tools/Exception.o ../../tools/FileBase.o ../../tools/Grid.o ../../tools/HistogramBead.o ../../tools/IFile.o ../../tools/Kearsley.o ../../tools/KernelFunctions.o ../../tools/Keywords.o ../../tools/LatticeReduction.o ../../tools/LinkCells.o ../../tools/Log.o ../../tools/MolDataClass.o ../../tools/MultiValue.o ../../tools/NeighborList.o ../../tools/OFile.o ../../tools/OpenMP.o ../../tools/OptimalAlignment.o ../../tools/PDB.o ../../tools/Pbc.o ../../tools/RMSD.o ../../tools/Random.o ../../tools/Stopwatch.o ../../tools/SwitchingFunction.o ../../tools/Tensor.o ../../tools/Tools.o ../../tools/Torsion.o ../../tools/Units.o ../../tools/Vector.o ../../vatom/COM.o ../../vatom/Center.o ../../vatom/Ghost.o ../../vesselbase/ActionWithInputVessel.o ../../vesselbase/ActionWithVessel.o ../../vesselbase/AltMin.o ../../vesselbase/Between.o ../../vesselbase/BridgeVessel.o ../../vesselbase/FunctionVessel.o ../../vesselbase/Highest.o ../../vesselbase/Histogram.o ../../vesselbase/LessThan.o ../../vesselbase/Lowest.o ../../vesselbase/Max.o ../../vesselbase/Mean.o ../../vesselbase/Min.o ../../vesselbase/Moments.o ../../vesselbase/MoreThan.o ../../vesselbase/OrderingVessel.o ../../vesselbase/ShortcutVessel.o ../../vesselbase/StoreDataVessel.o ../../vesselbase/Sum.o ../../vesselbase/ValueVessel.o ../../vesselbase/Vessel.o ../../vesselbase/VesselRegister.o ../../config/ConfigInstall.o -lz -lmatheval -ldl -lopenblas -Wl,--as-needed -rdynamic -fopenmp mkdir -p install cd install && g++ -shared -o libplumed.so ../../analysis/Analysis.o ../../analysis/AnalysisWithLandmarks.o ../../analysis/ClassicalMultiDimensionalScaling.o ../../analysis/ClassicalScaling.o ../../analysis/Commit.o ../../analysis/Histogram.o ../../analysis/LandmarkRegister.o ../../analysis/LandmarkSelectionBase.o ../../analysis/SelectAllFrames.o ../../bias/ABMD.o ../../bias/Bias.o ../../bias/BiasValue.o ../../bias/ExtendedLagrangian.o ../../bias/External.o ../../bias/LWalls.o ../../bias/MetaD.o ../../bias/MovingRestraint.o ../../bias/PBMetaD.o ../../bias/Restraint.o ../../bias/UWalls.o ../../blas/blas.o ../../cltools/Driver.o ../../cltools/DriverDouble.o ../../cltools/DriverFloat.o ../../cltools/GenTemplate.o ../../cltools/Info.o ../../cltools/Manual.o ../../cltools/SimpleMD.o ../../cltools/SumHills.o ../../cltools/kT.o ../../colvar/Angle.o ../../colvar/CH3Shifts.o ../../colvar/CS2Backbone.o ../../colvar/Cell.o ../../colvar/Constant.o ../../colvar/ContactMap.o ../../colvar/Coordination.o ../../colvar/CoordinationBase.o ../../colvar/DHEnergy.o ../../colvar/DRMSD.o ../../colvar/Dipole.o ../../colvar/Distance.o ../../colvar/Energy.o ../../colvar/Fake.o ../../colvar/Gyration.o ../../colvar/MultiRMSD.o ../../colvar/NOE.o ../../colvar/PCARMSD.o ../../colvar/PathMSD.o ../../colvar/PathMSDBase.o ../../colvar/Position.o ../../colvar/PropertyMap.o ../../colvar/Puckering.o ../../colvar/RDC.o ../../colvar/RMSD.o ../../colvar/Template.o ../../colvar/Torsion.o ../../colvar/Volume.o ../../core/Action.o ../../core/ActionAtomistic.o ../../core/ActionPilot.o ../../core/ActionRegister.o ../../core/ActionSet.o ../../core/ActionSetup.o ../../core/ActionWithArguments.o ../../core/ActionWithValue.o ../../core/ActionWithVirtualAtom.o ../../core/Atoms.o ../../core/CLTool.o ../../core/CLToolMain.o ../../core/CLToolRegister.o ../../core/Colvar.o ../../core/ExchangePatterns.o ../../core/FlexibleBin.o ../../core/GREX.o ../../core/MDAtoms.o ../../core/PlumedMain.o ../../core/PlumedMainInitializer.o ../../core/SetupMolInfo.o ../../core/TargetDist.o ../../core/Value.o ../../function/Combine.o ../../function/Ensemble.o ../../function/FuncPathMSD.o ../../function/FuncSumHills.o ../../function/Function.o ../../function/Matheval.o ../../function/Piecewise.o ../../function/Sort.o ../../function/Target.o ../../generic/Debug.o ../../generic/DumpAtoms.o ../../generic/DumpDerivatives.o ../../generic/DumpForces.o ../../generic/DumpMassCharge.o ../../generic/DumpProjections.o ../../generic/EffectiveEnergyDrift.o ../../generic/FitToTemplate.o ../../generic/Flush.o ../../generic/Group.o ../../generic/Include.o ../../generic/Print.o ../../generic/RandomExchanges.o ../../generic/Read.o ../../generic/Time.o ../../generic/WholeMolecules.o ../../generic/WrapAround.o ../../lapack/lapack.o ../../mapping/Mapping.o ../../mapping/PCAVars.o ../../mapping/Path.o ../../mapping/PathBase.o ../../mapping/PropertyMap.o ../../mapping/SpathVessel.o ../../mapping/ZpathVessel.o ../../molfile/crdplugin.o ../../molfile/dcdplugin.o ../../molfile/gromacsplugin.o ../../molfile/pdbplugin.o ../../multicolvar/ActionVolume.o ../../multicolvar/AdjacencyMatrixAction.o ../../multicolvar/AdjacencyMatrixVessel.o ../../multicolvar/AlphaBeta.o ../../multicolvar/Angles.o ../../multicolvar/AtomValuePack.o ../../multicolvar/Bridge.o ../../multicolvar/BridgedMultiColvarFunction.o ../../multicolvar/CatomPack.o ../../multicolvar/CoordinationNumbers.o ../../multicolvar/Density.o ../../multicolvar/DihedralCorrelation.o ../../multicolvar/Distances.o ../../multicolvar/DumpMultiColvar.o ../../multicolvar/FilterBetween.o ../../multicolvar/FilterLessThan.o ../../multicolvar/FilterMoreThan.o ../../multicolvar/InPlaneDistances.o ../../multicolvar/LocalAverage.o ../../multicolvar/MultiColvar.o ../../multicolvar/MultiColvarBase.o ../../multicolvar/MultiColvarDensity.o ../../multicolvar/MultiColvarFilter.o ../../multicolvar/MultiColvarFunction.o ../../multicolvar/NumberOfLinks.o ../../multicolvar/Sprint.o ../../multicolvar/Torsions.o ../../multicolvar/VolumeAround.o ../../multicolvar/VolumeCavity.o ../../multicolvar/VolumeGradientBase.o ../../multicolvar/VolumeInCylinder.o ../../multicolvar/VolumeTetrapore.o ../../multicolvar/XDistances.o ../../multicolvar/XYDistances.o ../../reference/ArgumentOnlyDistance.o ../../reference/DRMSD.o ../../reference/Direction.o ../../reference/DotProductDistance.o ../../reference/EuclideanDistance.o ../../reference/MahalanobisDistance.o ../../reference/MetricRegister.o ../../reference/MultiDomainRMSD.o ../../reference/MultiReferenceBase.o ../../reference/NormalizedEuclideanDistance.o ../../reference/OptimalRMSD.o ../../reference/PointWiseMapping.o ../../reference/RMSDBase.o ../../reference/ReferenceArguments.o ../../reference/ReferenceAtoms.o ../../reference/ReferenceConfiguration.o ../../reference/ReferenceValuePack.o ../../reference/SimpleRMSD.o ../../reference/SingleDomainRMSD.o ../../secondarystructure/AlphaRMSD.o ../../secondarystructure/AntibetaRMSD.o ../../secondarystructure/ParabetaRMSD.o ../../secondarystructure/SecondaryStructureRMSD.o ../../setup/Load.o ../../setup/MolInfo.o ../../setup/Restart.o ../../setup/Units.o ../../tools/Angle.o ../../tools/BiasRepresentation.o ../../tools/Citations.o ../../tools/Communicator.o ../../tools/CubicInterpolation.o ../../tools/DLLoader.o ../../tools/Exception.o ../../tools/FileBase.o ../../tools/Grid.o ../../tools/HistogramBead.o ../../tools/IFile.o ../../tools/Kearsley.o ../../tools/KernelFunctions.o ../../tools/Keywords.o ../../tools/LatticeReduction.o ../../tools/LinkCells.o ../../tools/Log.o ../../tools/MolDataClass.o ../../tools/MultiValue.o ../../tools/NeighborList.o ../../tools/OFile.o ../../tools/OpenMP.o ../../tools/OptimalAlignment.o ../../tools/PDB.o ../../tools/Pbc.o ../../tools/RMSD.o ../../tools/Random.o ../../tools/Stopwatch.o ../../tools/SwitchingFunction.o ../../tools/Tensor.o ../../tools/Tools.o ../../tools/Torsion.o ../../tools/Units.o ../../tools/Vector.o ../../vatom/COM.o ../../vatom/Center.o ../../vatom/Ghost.o ../../vesselbase/ActionWithInputVessel.o ../../vesselbase/ActionWithVessel.o ../../vesselbase/AltMin.o ../../vesselbase/Between.o ../../vesselbase/BridgeVessel.o ../../vesselbase/FunctionVessel.o ../../vesselbase/Highest.o ../../vesselbase/Histogram.o ../../vesselbase/LessThan.o ../../vesselbase/Lowest.o ../../vesselbase/Max.o ../../vesselbase/Mean.o ../../vesselbase/Min.o ../../vesselbase/Moments.o ../../vesselbase/MoreThan.o ../../vesselbase/OrderingVessel.o ../../vesselbase/ShortcutVessel.o ../../vesselbase/StoreDataVessel.o ../../vesselbase/Sum.o ../../vesselbase/ValueVessel.o ../../vesselbase/Vessel.o ../../vesselbase/VesselRegister.o ../../config/ConfigInstall.o ../../wrapper/PlumedStatic.o -lz -lmatheval -ldl -lopenblas -Wl,--as-needed -rdynamic -fopenmp g++ ../main/main.o ../wrapper/Plumed.o -o install/plumed-runtime -ldl Building Plumed.inc, runtime-linking version Building Plumed.inc, shared version Building Plumed.inc, static version Building Plumed.cmake Building Plumed.cmake, static version Building Plumed.cmake, runtime-linking version Building Plumed.cmake, shared version g++ ../main/main.o "/builddir/build/BUILD/plumed-2.2.1/serial/src/lib/install/libplumed.so" -o install/plumed-shared -ldl make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/lib' make[5]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/lib' make install/kernel.o make[5]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/lib' ld -r -o install/kernel.o ../analysis/Analysis.o ../analysis/AnalysisWithLandmarks.o ../analysis/ClassicalMultiDimensionalScaling.o ../analysis/ClassicalScaling.o ../analysis/Commit.o ../analysis/Histogram.o ../analysis/LandmarkRegister.o ../analysis/LandmarkSelectionBase.o ../analysis/SelectAllFrames.o ../bias/ABMD.o ../bias/Bias.o ../bias/BiasValue.o ../bias/ExtendedLagrangian.o ../bias/External.o ../bias/LWalls.o ../bias/MetaD.o ../bias/MovingRestraint.o ../bias/PBMetaD.o ../bias/Restraint.o ../bias/UWalls.o ../blas/blas.o ../cltools/Driver.o ../cltools/DriverDouble.o ../cltools/DriverFloat.o ../cltools/GenTemplate.o ../cltools/Info.o ../cltools/Manual.o ../cltools/SimpleMD.o ../cltools/SumHills.o ../cltools/kT.o ../colvar/Angle.o ../colvar/CH3Shifts.o ../colvar/CS2Backbone.o ../colvar/Cell.o ../colvar/Constant.o ../colvar/ContactMap.o ../colvar/Coordination.o ../colvar/CoordinationBase.o ../colvar/DHEnergy.o ../colvar/DRMSD.o ../colvar/Dipole.o ../colvar/Distance.o ../colvar/Energy.o ../colvar/Fake.o ../colvar/Gyration.o ../colvar/MultiRMSD.o ../colvar/NOE.o ../colvar/PCARMSD.o ../colvar/PathMSD.o ../colvar/PathMSDBase.o ../colvar/Position.o ../colvar/PropertyMap.o ../colvar/Puckering.o ../colvar/RDC.o ../colvar/RMSD.o ../colvar/Template.o ../colvar/Torsion.o ../colvar/Volume.o ../core/Action.o ../core/ActionAtomistic.o ../core/ActionPilot.o ../core/ActionRegister.o ../core/ActionSet.o ../core/ActionSetup.o ../core/ActionWithArguments.o ../core/ActionWithValue.o ../core/ActionWithVirtualAtom.o ../core/Atoms.o ../core/CLTool.o ../core/CLToolMain.o ../core/CLToolRegister.o ../core/Colvar.o ../core/ExchangePatterns.o ../core/FlexibleBin.o ../core/GREX.o ../core/MDAtoms.o ../core/PlumedMain.o ../core/PlumedMainInitializer.o ../core/SetupMolInfo.o ../core/TargetDist.o ../core/Value.o ../function/Combine.o ../function/Ensemble.o ../function/FuncPathMSD.o ../function/FuncSumHills.o ../function/Function.o ../function/Matheval.o ../function/Piecewise.o ../function/Sort.o ../function/Target.o ../generic/Debug.o ../generic/DumpAtoms.o ../generic/DumpDerivatives.o ../generic/DumpForces.o ../generic/DumpMassCharge.o ../generic/DumpProjections.o ../generic/EffectiveEnergyDrift.o ../generic/FitToTemplate.o ../generic/Flush.o ../generic/Group.o ../generic/Include.o ../generic/Print.o ../generic/RandomExchanges.o ../generic/Read.o ../generic/Time.o ../generic/WholeMolecules.o ../generic/WrapAround.o ../lapack/lapack.o ../mapping/Mapping.o ../mapping/PCAVars.o ../mapping/Path.o ../mapping/PathBase.o ../mapping/PropertyMap.o ../mapping/SpathVessel.o ../mapping/ZpathVessel.o ../molfile/crdplugin.o ../molfile/dcdplugin.o ../molfile/gromacsplugin.o ../molfile/pdbplugin.o ../multicolvar/ActionVolume.o ../multicolvar/AdjacencyMatrixAction.o ../multicolvar/AdjacencyMatrixVessel.o ../multicolvar/AlphaBeta.o ../multicolvar/Angles.o ../multicolvar/AtomValuePack.o ../multicolvar/Bridge.o ../multicolvar/BridgedMultiColvarFunction.o ../multicolvar/CatomPack.o ../multicolvar/CoordinationNumbers.o ../multicolvar/Density.o ../multicolvar/DihedralCorrelation.o ../multicolvar/Distances.o ../multicolvar/DumpMultiColvar.o ../multicolvar/FilterBetween.o ../multicolvar/FilterLessThan.o ../multicolvar/FilterMoreThan.o ../multicolvar/InPlaneDistances.o ../multicolvar/LocalAverage.o ../multicolvar/MultiColvar.o ../multicolvar/MultiColvarBase.o ../multicolvar/MultiColvarDensity.o ../multicolvar/MultiColvarFilter.o ../multicolvar/MultiColvarFunction.o ../multicolvar/NumberOfLinks.o ../multicolvar/Sprint.o ../multicolvar/Torsions.o ../multicolvar/VolumeAround.o ../multicolvar/VolumeCavity.o ../multicolvar/VolumeGradientBase.o ../multicolvar/VolumeInCylinder.o ../multicolvar/VolumeTetrapore.o ../multicolvar/XDistances.o ../multicolvar/XYDistances.o ../reference/ArgumentOnlyDistance.o ../reference/DRMSD.o ../reference/Direction.o ../reference/DotProductDistance.o ../reference/EuclideanDistance.o ../reference/MahalanobisDistance.o ../reference/MetricRegister.o ../reference/MultiDomainRMSD.o ../reference/MultiReferenceBase.o ../reference/NormalizedEuclideanDistance.o ../reference/OptimalRMSD.o ../reference/PointWiseMapping.o ../reference/RMSDBase.o ../reference/ReferenceArguments.o ../reference/ReferenceAtoms.o ../reference/ReferenceConfiguration.o ../reference/ReferenceValuePack.o ../reference/SimpleRMSD.o ../reference/SingleDomainRMSD.o ../secondarystructure/AlphaRMSD.o ../secondarystructure/AntibetaRMSD.o ../secondarystructure/ParabetaRMSD.o ../secondarystructure/SecondaryStructureRMSD.o ../setup/Load.o ../setup/MolInfo.o ../setup/Restart.o ../setup/Units.o ../tools/Angle.o ../tools/BiasRepresentation.o ../tools/Citations.o ../tools/Communicator.o ../tools/CubicInterpolation.o ../tools/DLLoader.o ../tools/Exception.o ../tools/FileBase.o ../tools/Grid.o ../tools/HistogramBead.o ../tools/IFile.o ../tools/Kearsley.o ../tools/KernelFunctions.o ../tools/Keywords.o ../tools/LatticeReduction.o ../tools/LinkCells.o ../tools/Log.o ../tools/MolDataClass.o ../tools/MultiValue.o ../tools/NeighborList.o ../tools/OFile.o ../tools/OpenMP.o ../tools/OptimalAlignment.o ../tools/PDB.o ../tools/Pbc.o ../tools/RMSD.o ../tools/Random.o ../tools/Stopwatch.o ../tools/SwitchingFunction.o ../tools/Tensor.o ../tools/Tools.o ../tools/Torsion.o ../tools/Units.o ../tools/Vector.o ../vatom/COM.o ../vatom/Center.o ../vatom/Ghost.o ../vesselbase/ActionWithInputVessel.o ../vesselbase/ActionWithVessel.o ../vesselbase/AltMin.o ../vesselbase/Between.o ../vesselbase/BridgeVessel.o ../vesselbase/FunctionVessel.o ../vesselbase/Highest.o ../vesselbase/Histogram.o ../vesselbase/LessThan.o ../vesselbase/Lowest.o ../vesselbase/Max.o ../vesselbase/Mean.o ../vesselbase/Min.o ../vesselbase/Moments.o ../vesselbase/MoreThan.o ../vesselbase/OrderingVessel.o ../vesselbase/ShortcutVessel.o ../vesselbase/StoreDataVessel.o ../vesselbase/Sum.o ../vesselbase/ValueVessel.o ../vesselbase/Vessel.o ../vesselbase/VesselRegister.o ../config/Config.o make[5]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/lib' make[4]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/lib' make[3]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/lib' make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src' make[1]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial' ~/build/BUILD/plumed-2.2.1 ~/build/BUILD/plumed-2.2.1/openmpi ~/build/BUILD/plumed-2.2.1 + popd + pushd openmpi + . /etc/profile.d/modules.sh ++++ /bin/ps -p 5899 -ocomm= +++ /bin/basename sh ++ shell=sh ++ '[' -f /usr/share/Modules/init/sh ']' ++ . /usr/share/Modules/init/sh +++ MODULESHOME=/usr/share/Modules +++ export MODULESHOME +++ '[' '' = '' ']' +++ LOADEDMODULES= +++ export LOADEDMODULES +++ '[' /usr/share/Modules/modulefiles:/etc/modulefiles = '' ']' + module load mpi/openmpi-x86_64 ++ /usr/bin/modulecmd sh load mpi/openmpi-x86_64 + eval LD_LIBRARY_PATH=/usr/lib64/openmpi/lib ';export' 'LD_LIBRARY_PATH;LOADEDMODULES=mpi/openmpi-x86_64' ';export' 'LOADEDMODULES;MANPATH=/usr/share/man/openmpi-x86_64:/usr/share/man:/usr/local/share/man' ';export' 'MANPATH;MPI_BIN=/usr/lib64/openmpi/bin' ';export' 'MPI_BIN;MPI_COMPILER=openmpi-x86_64' ';export' 'MPI_COMPILER;MPI_FORTRAN_MOD_DIR=/usr/lib64/gfortran/modules/openmpi-x86_64' ';export' 'MPI_FORTRAN_MOD_DIR;MPI_HOME=/usr/lib64/openmpi' ';export' 'MPI_HOME;MPI_INCLUDE=/usr/include/openmpi-x86_64' ';export' 'MPI_INCLUDE;MPI_LIB=/usr/lib64/openmpi/lib' ';export' 'MPI_LIB;MPI_MAN=/usr/share/man/openmpi-x86_64' ';export' 'MPI_MAN;MPI_PYTHON_SITEARCH=/usr/lib64/python2.7/site-packages/openmpi' ';export' 'MPI_PYTHON_SITEARCH;MPI_SUFFIX=_openmpi' ';export' 'MPI_SUFFIX;MPI_SYSCONFIG=/etc/openmpi-x86_64' ';export' 'MPI_SYSCONFIG;PATH=/usr/lib64/openmpi/bin:/usr/bin:/bin:/usr/sbin:/sbin:/usr/local/sbin:/builddir/.local/bin:/builddir/bin' ';export' 'PATH;PYTHONPATH=/usr/lib64/python2.7/site-packages/openmpi' ';export' 'PYTHONPATH;_LMFILES_=/etc/modulefiles/mpi/openmpi-x86_64' ';export' '_LMFILES_;' ++ LD_LIBRARY_PATH=/usr/lib64/openmpi/lib ++ export LD_LIBRARY_PATH ++ LOADEDMODULES=mpi/openmpi-x86_64 ++ export LOADEDMODULES ++ MANPATH=/usr/share/man/openmpi-x86_64:/usr/share/man:/usr/local/share/man ++ export MANPATH ++ MPI_BIN=/usr/lib64/openmpi/bin ++ export MPI_BIN ++ MPI_COMPILER=openmpi-x86_64 ++ export MPI_COMPILER ++ MPI_FORTRAN_MOD_DIR=/usr/lib64/gfortran/modules/openmpi-x86_64 ++ export MPI_FORTRAN_MOD_DIR ++ MPI_HOME=/usr/lib64/openmpi ++ export MPI_HOME ++ MPI_INCLUDE=/usr/include/openmpi-x86_64 ++ export MPI_INCLUDE ++ MPI_LIB=/usr/lib64/openmpi/lib ++ export MPI_LIB ++ MPI_MAN=/usr/share/man/openmpi-x86_64 ++ export MPI_MAN ++ MPI_PYTHON_SITEARCH=/usr/lib64/python2.7/site-packages/openmpi ++ export MPI_PYTHON_SITEARCH ++ MPI_SUFFIX=_openmpi ++ export MPI_SUFFIX ++ MPI_SYSCONFIG=/etc/openmpi-x86_64 ++ export MPI_SYSCONFIG ++ PATH=/usr/lib64/openmpi/bin:/usr/bin:/bin:/usr/sbin:/sbin:/usr/local/sbin:/builddir/.local/bin:/builddir/bin ++ export PATH ++ PYTHONPATH=/usr/lib64/python2.7/site-packages/openmpi ++ export PYTHONPATH ++ _LMFILES_=/etc/modulefiles/mpi/openmpi-x86_64 ++ export _LMFILES_ + export 'CFLAGS=-O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic' + CFLAGS='-O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic' + CFLAGS='-O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic' + export CFLAGS + CXXFLAGS='-O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic' + export CXXFLAGS + FFLAGS='-O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -I/usr/lib64/gfortran/modules' + export FFLAGS + FCFLAGS='-O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -I/usr/lib64/gfortran/modules' + export FCFLAGS + LDFLAGS=-Wl,--as-needed + export LDFLAGS + '[' 1 == 1 ']' + '[' x86_64 == ppc64le ']' ++ find . -name config.guess -o -name config.sub + ./configure --build=x86_64-redhat-linux-gnu --host=x86_64-redhat-linux-gnu --program-prefix= --disable-dependency-tracking --prefix=/usr --exec-prefix=/usr --bindir=/usr/bin --sbindir=/usr/sbin --sysconfdir=/etc --datadir=/usr/share --includedir=/usr/include --libdir=/usr/lib64 --libexecdir=/usr/libexec --localstatedir=/var --sharedstatedir=/var/lib --mandir=/usr/share/man --infodir=/usr/share/info --libdir=/usr/lib64/openmpi/lib --includedir=/usr/include/openmpi-x86_64 --bindir=/usr/lib64/openmpi/bin configure: WARNING: unrecognized options: --disable-dependency-tracking checking for x86_64-redhat-linux-gnu-mpic++... no checking for x86_64-redhat-linux-gnu-mpicxx... no checking for x86_64-redhat-linux-gnu-mpiicpc... no checking for x86_64-redhat-linux-gnu-openmpic++... no checking for x86_64-redhat-linux-gnu-openmpicxx... no checking for x86_64-redhat-linux-gnu-g++... no checking for x86_64-redhat-linux-gnu-cxx... no checking for x86_64-redhat-linux-gnu-icpc... no checking for x86_64-redhat-linux-gnu-gpp... no checking for x86_64-redhat-linux-gnu-aCC... no checking for x86_64-redhat-linux-gnu-CC... no checking for x86_64-redhat-linux-gnu-cxx... no checking for x86_64-redhat-linux-gnu-cc++... no checking for x86_64-redhat-linux-gnu-cl.exe... no checking for x86_64-redhat-linux-gnu-FCC... no checking for x86_64-redhat-linux-gnu-KCC... no checking for x86_64-redhat-linux-gnu-RCC... no checking for x86_64-redhat-linux-gnu-xlC_r... no checking for x86_64-redhat-linux-gnu-xlC... no checking for mpic++... mpic++ checking whether the C++ compiler works... yes checking for C++ compiler default output file name... a.out checking for suffix of executables... checking whether we are cross compiling... no checking for suffix of object files... o checking whether we are using the GNU C++ compiler... yes checking whether mpic++ accepts -g... yes checking for x86_64-redhat-linux-gnu-gcc... no checking for gcc... gcc checking whether we are using the GNU C compiler... yes checking whether gcc accepts -g... yes checking for gcc option to accept ISO C89... none needed checking for x86_64-redhat-linux-gnu-gfortran... no checking for x86_64-redhat-linux-gnu-g95... no checking for x86_64-redhat-linux-gnu-xlf95... no checking for x86_64-redhat-linux-gnu-f95... no checking for x86_64-redhat-linux-gnu-fort... no checking for x86_64-redhat-linux-gnu-ifort... no checking for x86_64-redhat-linux-gnu-ifc... no checking for x86_64-redhat-linux-gnu-efc... no checking for x86_64-redhat-linux-gnu-pgfortran... no checking for x86_64-redhat-linux-gnu-pgf95... no checking for x86_64-redhat-linux-gnu-lf95... no checking for x86_64-redhat-linux-gnu-ftn... no checking for x86_64-redhat-linux-gnu-nagfor... no checking for x86_64-redhat-linux-gnu-xlf90... no checking for x86_64-redhat-linux-gnu-f90... no checking for x86_64-redhat-linux-gnu-pgf90... no checking for x86_64-redhat-linux-gnu-pghpf... no checking for x86_64-redhat-linux-gnu-epcf90... no checking for x86_64-redhat-linux-gnu-g77... no checking for x86_64-redhat-linux-gnu-xlf... no checking for x86_64-redhat-linux-gnu-f77... no checking for x86_64-redhat-linux-gnu-frt... no checking for x86_64-redhat-linux-gnu-pgf77... no checking for x86_64-redhat-linux-gnu-cf77... no checking for x86_64-redhat-linux-gnu-fort77... no checking for x86_64-redhat-linux-gnu-fl32... no checking for x86_64-redhat-linux-gnu-af77... no checking for gfortran... gfortran checking whether we are using the GNU Fortran compiler... yes checking whether gfortran accepts -g... yes configure: Initial CXX: mpic++ configure: Initial CXXFLAGS: -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic configure: Initial CPPFLAGS: configure: Initial CFLAGS: -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic configure: Initial LDFLAGS: -Wl,--as-needed configure: Initial LIBS: -Wl,--as-needed configure: Initial STATIC_LIBS: -Wl,--as-needed configure: Initial LD: mpic++ configure: Initial LDSO: mpic++ configure: Initial SOEXT: checking whether mpic++ accepts -fPIC... yes checking whether gcc accepts -fPIC... yes checking whether mpic++ accepts -Wall... yes checking whether mpic++ accepts -pedantic... yes checking whether mpic++ accepts -ansi... yes checking whether mpic++ supports explicit... yes configure: Now we will check compulsory headers and libraries checking how to run the C++ preprocessor... mpic++ -E checking for grep that handles long lines and -e... /usr/bin/grep checking for egrep... /usr/bin/grep -E checking for ANSI C header files... yes checking for sys/types.h... yes checking for sys/stat.h... yes checking for stdlib.h... yes checking for string.h... yes checking for memory.h... yes checking for strings.h... yes checking for inttypes.h... yes checking for stdint.h... yes checking for unistd.h... yes checking dirent.h usability... yes checking dirent.h presence... yes checking for dirent.h... yes checking for readdir... yes checking for dgemv... no checking for dgemv_... yes checking for dsyevr_... yes configure: Now we will check for optional headers and libraries checking for molfile_dcdplugin_init in -lmolfile_plugin... no checking for dlopen in -ldl... configure: WARNING: using internal molfile_plugins, which only support dcd/xtc/trr/trj/crd files yes checking mpi.h usability... yes checking mpi.h presence... yes checking for mpi.h... yes checking for MPI_Init... yes checking for mpic++ option to support OpenMP... -fopenmp checking matheval.h usability... yes checking matheval.h presence... yes checking for matheval.h... yes checking for evaluator_create... no checking for evaluator_create in -lmatheval... yes checking time.h usability... yes checking time.h presence... yes checking for time.h... yes checking for clock_gettime... yes checking sys/time.h usability... yes checking sys/time.h presence... yes checking for sys/time.h... yes checking for gettimeofday... yes checking for dirent.h... (cached) yes checking for readdir_r... yes checking regex.h usability... yes checking regex.h presence... yes checking for regex.h... yes checking for regcomp... yes checking dlfcn.h usability... yes checking dlfcn.h presence... yes checking for dlfcn.h... yes checking for dlopen... yes checking execinfo.h usability... yes checking execinfo.h presence... yes checking for execinfo.h... yes checking for backtrace... yes checking zlib.h usability... yes checking zlib.h presence... yes checking for zlib.h... yes checking for gzopen... no checking for gzopen in -lz... yes checking xdrfile/xdrfile_xtc.h usability... no checking xdrfile/xdrfile_xtc.h presence... no checking for xdrfile/xdrfile_xtc.h... no configure: Release mode, adding -DNDEBUG configure: WARNING: cannot enable __PLUMED_HAS_XDRFILE configure: *** Special settings for dynamic libraries on Linux *** configure: Dynamic library extension is 'so' configure: LDSO and LDFLAGS need special flags checking whether LDFLAGS can contain -rdynamic... yes configure: Using LDSO='mpic++ -shared' configure: Using LDFLAGS='-Wl,--as-needed -rdynamic' checking whether LDSO can create dynamic libraries... yes checking for doxygen... found configure: Doxygen version is fine checking for dot... found checking for xxd... found checking whether a program can be run on this machine... yes checking whether a program compiled with mpi can be run on this machine... yes configure: PLUMED seems to be configured properly! configure: ************************** checking whether C++ objects can be grouped with ld -r... yes configure: I will now check if C++ objects can be linked by C/Fortran compilers configure: This is relevant if you want to use plumed patch --static on a non-C++ code checking whether C can link a C++ object... no checking whether C can link a C++ object with library -lstdc++... no checking whether C can link a C++ object with library -lc++... no checking whether C can link a C++ object with library -lmpi_cxx... no configure: WARNING: You might have problems linking C programs. configure: WARNING: Please add c++ library to LIBS checking whether FORTRAN can link a C++ object... no checking whether FORTRAN can link a C++ object with library -lstdc++... no checking whether FORTRAN can link a C++ object with library -lc++... no checking whether FORTRAN can link a C++ object with library -lmpi_cxx... no configure: WARNING: You might have problems linking FORTRAN programs. configure: WARNING: Please add c++ library to LIBS configure: **** PLUMED will be installed using the following paths: configure: **** prefix: /usr configure: **** exec_prefix: /usr configure: **** bindir: /usr/lib64/openmpi/bin configure: **** libdir: /usr/lib64/openmpi/lib configure: **** includedir: /usr/include/openmpi-x86_64 configure: **** datarootdir: ${prefix}/share configure: **** datadir: /usr/share configure: **** docdir: ${prefix}/share/doc/plumed configure: **** htmldir: ${docdir} configure: **** Executable will be named plumed configure: **** You can change paths later using options to "make install" configure: **** e.g. with "make install prefix=/path" configure: **** PLUMED will be compiled using MPI configure: creating ./config.status config.status: creating Makefile.conf config.status: creating sourceme.sh config.status: creating stamp-h configure: WARNING: unrecognized options: --disable-dependency-tracking + make -j2 make lib make[1]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi' make -C src make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src' make -C lib make[3]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/lib' make dirslinks make[4]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/lib' *** Updating links to used modules in all directories *** make ../analysis.links ../bias.links ../blas.links ../cltools.links ../colvar.links ../config.links ../core.links ../function.links ../generic.links ../lapack.links ../main.links ../mapping.links ../molfile.links ../multicolvar.links ../reference.links ../secondarystructure.links ../setup.links ../tools.links ../vatom.links ../vesselbase.links ../wrapper.links make[5]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/lib' make -C ../analysis links make -C ../bias links make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/analysis' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/openmpi/src/analysis make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/bias' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/openmpi/src/bias make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/bias' make -C ../blas links make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/blas' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/openmpi/src/blas make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/blas' make -C ../cltools links make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/cltools' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/openmpi/src/cltools make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/analysis' make -C ../colvar links make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/colvar' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/openmpi/src/colvar make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/cltools' make -C ../config links make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/config' Nothing to do in /builddir/build/BUILD/plumed-2.2.1/openmpi/src/config make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/config' make -C ../core links make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/colvar' make -C ../function links make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/function' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/openmpi/src/function make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/core' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/openmpi/src/core make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/core' make -C ../generic links make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/generic' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/openmpi/src/generic make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/function' make -C ../lapack links make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/lapack' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/openmpi/src/lapack make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/lapack' make -C ../main links make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/main' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/openmpi/src/main make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/main' make -C ../mapping links make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/mapping' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/openmpi/src/mapping make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/generic' make -C ../molfile links make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/molfile' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/openmpi/src/molfile make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/molfile' make -C ../multicolvar links make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/multicolvar' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/openmpi/src/multicolvar make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/mapping' make -C ../reference links make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/reference' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/openmpi/src/reference make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/multicolvar' make -C ../secondarystructure links make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/secondarystructure' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/openmpi/src/secondarystructure make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/reference' make -C ../setup links make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/setup' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/openmpi/src/setup make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/secondarystructure' make -C ../tools links make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/setup' make -C ../vatom links make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/vatom' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/openmpi/src/vatom make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/tools' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/openmpi/src/tools make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/tools' make -C ../vesselbase links make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/vesselbase' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/openmpi/src/vesselbase make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/vatom' make -C ../wrapper links make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/wrapper' Nothing to do in /builddir/build/BUILD/plumed-2.2.1/openmpi/src/wrapper make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/wrapper' make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/vesselbase' make[5]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/lib' make[4]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/lib' make dirs make[4]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/lib' *** Compiling all directories *** make ../analysis ../bias ../blas ../cltools ../colvar ../config ../core ../function ../generic ../lapack ../main ../mapping ../molfile ../multicolvar ../reference ../secondarystructure ../setup ../tools ../vatom ../vesselbase ../wrapper make[5]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/lib' make -C ../analysis obj make -C ../bias obj make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/analysis' make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/bias' compiling AnalysisWithLandmarks.cpp compiling Restraint.cpp In file included from core/../../core/tools/../../tools/Communicator.h:25:0, from core/../../core/tools/Communicator.h:1, from core/../../core/Atoms.h:25, from core/../../core/ActionAtomistic.h:27, from core/ActionAtomistic.h:1, from Analysis.h:26, from AnalysisWithLandmarks.h:25, from AnalysisWithLandmarks.cpp:22: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ compiling PBMetaD.cpp In file included from core/../../core/tools/../../tools/Communicator.h:25:0, from core/../../core/tools/Communicator.h:1, from core/../../core/Atoms.h:25, from core/Atoms.h:1, from PBMetaD.cpp:27: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ compiling ClassicalScaling.cpp PBMetaD.cpp: In destructor 'virtual PLMD::bias::PBMetaD::~PBMetaD()': PBMetaD.cpp:256:34: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] for(int i=0; i >&, double*)': SimpleMD.cpp:211:23: warning: ignoring return value of 'char* fgets(char*, int, FILE*)', declared with attribute warn_unused_result [-Wunused-result] fgets(buffer,256,fp); ^ SimpleMD.cpp:212:66: warning: ignoring return value of 'int fscanf(FILE*, const char*, ...)', declared with attribute warn_unused_result [-Wunused-result] fscanf(fp,"%1000lf %1000lf %1000lf",&cell[0],&cell[1],&cell[2]); ^ SimpleMD.cpp:214:107: warning: ignoring return value of 'int fscanf(FILE*, const char*, ...)', declared with attribute warn_unused_result [-Wunused-result] fscanf(fp,"%255s %1000lf %1000lf %1000lf",atomname,&positions[i][0],&positions[i][1],&positions[i][2]); ^ compiling BiasValue.cpp compiling UWalls.cpp compiling kT.cpp compiling Driver.cpp compiling Bias.cpp In file included from tools/../../tools/Communicator.h:25:0, from tools/Communicator.h:1, from Driver.cpp:26: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ compiling ABMD.cpp compiling GenTemplate.cpp compiling DriverFloat.cpp In file included from tools/../../tools/Communicator.h:25:0, from tools/Communicator.h:1, from Driver.cpp:26, from DriverFloat.cpp:23: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/bias' make -C ../colvar obj make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/colvar' compiling Torsion.cpp In file included from core/../../core/tools/../../tools/Communicator.h:25:0, from core/../../core/tools/Communicator.h:1, from core/../../core/Atoms.h:25, from core/../../core/ActionAtomistic.h:27, from core/../../core/Colvar.h:25, from core/Colvar.h:1, from Colvar.h:24, from Torsion.cpp:22: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ compiling Coordination.cpp In file included from core/../../core/tools/../../tools/Communicator.h:25:0, from core/../../core/tools/Communicator.h:1, from core/../../core/Atoms.h:25, from core/../../core/ActionAtomistic.h:27, from core/../../core/Colvar.h:25, from core/Colvar.h:1, from Colvar.h:24, from CoordinationBase.h:24, from Coordination.cpp:22: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ compiling PathMSDBase.cpp compiling Info.cpp In file included from core/../../core/tools/../../tools/Communicator.h:25:0, from core/../../core/tools/Communicator.h:1, from core/../../core/Atoms.h:25, from core/../../core/ActionAtomistic.h:27, from core/../../core/Colvar.h:25, from core/Colvar.h:1, from Colvar.h:24, from PathMSDBase.cpp:23: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ compiling DriverDouble.cpp In file included from tools/../../tools/Communicator.h:25:0, from tools/Communicator.h:1, from Driver.cpp:26, from DriverDouble.cpp:23: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ compiling Volume.cpp In file included from core/../../core/tools/../../tools/Communicator.h:25:0, from core/../../core/tools/Communicator.h:1, from core/../../core/Atoms.h:25, from core/../../core/ActionAtomistic.h:27, from core/../../core/Colvar.h:25, from core/Colvar.h:1, from Colvar.h:24, from Volume.cpp:22: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/cltools' compiling RDC.cpp In file included from core/../../core/tools/../../tools/Communicator.h:25:0, from core/../../core/tools/Communicator.h:1, from core/../../core/Atoms.h:25, from core/../../core/ActionAtomistic.h:27, from core/../../core/Colvar.h:25, from core/Colvar.h:1, from Colvar.h:24, from RDC.cpp:23: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ make -C ../config obj make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/config' make PLUMED_FORCE=yes ConfigInstall.cpp Config.cpp version.h make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/config' Updating ConfigInstall.cpp cmp -s ConfigInstall.cpp~ ConfigInstall.cpp || cp ConfigInstall.cpp~ ConfigInstall.cpp rm ConfigInstall.cpp~ Updating Config.cpp cmp -s Config.cpp~ Config.cpp || cp Config.cpp~ Config.cpp rm Config.cpp~ Updating version.h make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/config' make Config.o ConfigInstall.o compile_options.sh make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/config' cat ../../Makefile.conf | xxd -i > Makefile.conf.xxd Building compile_options.sh, a sourceable bash script with some compilation options compiling Config.cpp compiling ConfigInstall.cpp make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/config' make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/config' make -C ../core obj make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/core' compiling Value.cpp In file included from tools/../../tools/Communicator.h:25:0, from tools/Communicator.h:1, from Atoms.h:25, from ActionAtomistic.h:27, from Value.cpp:24: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ compiling PathMSD.cpp compiling SetupMolInfo.cpp In file included from core/../../core/tools/../../tools/Communicator.h:25:0, from core/../../core/tools/Communicator.h:1, from core/../../core/Atoms.h:25, from core/../../core/ActionAtomistic.h:27, from core/../../core/Colvar.h:25, from core/Colvar.h:1, from Colvar.h:24, from PathMSDBase.h:25, from PathMSD.cpp:22: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ In file included from tools/../../tools/Communicator.h:25:0, from tools/Communicator.h:1, from Atoms.h:25, from ActionAtomistic.h:27, from SetupMolInfo.h:26, from SetupMolInfo.cpp:22: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ compiling NOE.cpp In file included from core/../../core/tools/../../tools/Communicator.h:25:0, from core/../../core/tools/Communicator.h:1, from core/../../core/Atoms.h:25, from core/../../core/ActionAtomistic.h:27, from core/../../core/Colvar.h:25, from core/Colvar.h:1, from Colvar.h:24, from NOE.cpp:22: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ compiling PlumedMainInitializer.cpp compiling CLTool.cpp compiling FlexibleBin.cpp compiling Distance.cpp In file included from core/../../core/tools/../../tools/Communicator.h:25:0, from core/../../core/tools/Communicator.h:1, from core/../../core/Atoms.h:25, from core/../../core/ActionAtomistic.h:27, from core/../../core/Colvar.h:25, from core/Colvar.h:1, from Colvar.h:24, from Distance.cpp:22: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ compiling ActionRegister.cpp compiling Energy.cpp In file included from core/../../core/tools/../../tools/Communicator.h:25:0, from core/../../core/tools/Communicator.h:1, from core/../../core/Atoms.h:25, from core/../../core/ActionAtomistic.h:27, from core/../../core/Colvar.h:25, from core/Colvar.h:1, from Colvar.h:24, from Energy.cpp:22: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ compiling Action.cpp In file included from tools/../../tools/Communicator.h:25:0, from tools/Communicator.h:1, from Atoms.h:25, from Action.cpp:27: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ compiling DRMSD.cpp In file included from core/../../core/tools/../../tools/Communicator.h:25:0, from core/../../core/tools/Communicator.h:1, from core/../../core/Atoms.h:25, from core/../../core/ActionAtomistic.h:27, from core/../../core/Colvar.h:25, from core/Colvar.h:1, from Colvar.h:24, from DRMSD.cpp:22: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ compiling ActionWithArguments.cpp compiling CS2Backbone.cpp compiling RMSD.cpp In file included from core/../../core/tools/../../tools/Communicator.h:25:0, from core/../../core/tools/Communicator.h:1, from core/../../core/Atoms.h:25, from core/../../core/ActionAtomistic.h:27, from core/../../core/Colvar.h:25, from core/Colvar.h:1, from Colvar.h:24, from RMSD.cpp:22: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ compiling ActionPilot.cpp compiling ActionWithValue.cpp compiling PCARMSD.cpp In file included from core/../../core/tools/../../tools/Communicator.h:25:0, from core/../../core/tools/Communicator.h:1, from core/../../core/Atoms.h:25, from core/../../core/ActionAtomistic.h:27, from core/../../core/Colvar.h:25, from core/Colvar.h:1, from Colvar.h:24, from PCARMSD.cpp:22: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ PCARMSD.cpp: In member function 'virtual void PLMD::colvar::PCARMSD::calculate()': PCARMSD.cpp:217:51: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] for(unsigned i=0;i&)': Atoms.cpp:171:24: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] for(unsigned i=0;i >&)': Atoms.cpp:510:32: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] for(int i=0; i&)': ActionAtomistic.cpp:74:28: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if(indexes[i].index()>=n) error("atom out of range"); ^ compiling Dipole.cpp In file included from core/../../core/tools/../../tools/Communicator.h:25:0, from core/../../core/tools/Communicator.h:1, from core/../../core/Atoms.h:25, from core/../../core/ActionAtomistic.h:27, from core/../../core/Colvar.h:25, from core/Colvar.h:1, from Colvar.h:24, from Dipole.cpp:22: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ compiling TargetDist.cpp compiling Constant.cpp compiling ActionWithVirtualAtom.cpp In file included from core/../../core/tools/../../tools/Communicator.h:25:0, from core/../../core/tools/Communicator.h:1, from core/../../core/Atoms.h:25, from core/../../core/ActionAtomistic.h:27, from core/../../core/Colvar.h:25, from core/Colvar.h:1, from Colvar.h:24, from Constant.cpp:22: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ In file included from tools/../../tools/Communicator.h:25:0, from tools/Communicator.h:1, from Atoms.h:25, from ActionAtomistic.h:27, from ActionWithVirtualAtom.h:25, from ActionWithVirtualAtom.cpp:22: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ compiling Puckering.cpp In file included from core/../../core/tools/../../tools/Communicator.h:25:0, from core/../../core/tools/Communicator.h:1, from core/../../core/Atoms.h:25, from core/../../core/ActionAtomistic.h:27, from core/../../core/Colvar.h:25, from core/Colvar.h:1, from Colvar.h:24, from Puckering.cpp:22: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ compiling GREX.cpp In file included from tools/../../tools/Communicator.h:25:0, from tools/Communicator.h:1, from Atoms.h:25, from GREX.cpp:24: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ compiling Cell.cpp compiling CLToolMain.cpp In file included from core/../../core/tools/../../tools/Communicator.h:25:0, from core/../../core/tools/Communicator.h:1, from core/../../core/Atoms.h:25, from core/../../core/ActionAtomistic.h:27, from core/../../core/Colvar.h:25, from core/Colvar.h:1, from Colvar.h:24, from Cell.cpp:22: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ In file included from tools/../../tools/Communicator.h:25:0, from tools/Communicator.h:1, from CLToolMain.cpp:24: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ CLToolMain.cpp: In static member function 'static int PLMD::CLToolMain::run(int, char**, FILE*, FILE*, PLMD::Communicator&)': CLToolMain.cpp:246:24: warning: ignoring return value of 'int system(const char*)', declared with attribute warn_unused_result [-Wunused-result] system(cmd.c_str()); ^ compiling PropertyMap.cpp In file included from core/../../core/tools/../../tools/Communicator.h:25:0, from core/../../core/tools/Communicator.h:1, from core/../../core/Atoms.h:25, from core/../../core/ActionAtomistic.h:27, from core/../../core/Colvar.h:25, from core/Colvar.h:1, from Colvar.h:24, from PathMSDBase.h:25, from PropertyMap.cpp:22: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ compiling ActionSet.cpp compiling MDAtoms.cpp compiling ActionSetup.cpp make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/core' make -C ../function obj make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/function' compiling FuncSumHills.cpp In file included from tools/../../tools/Communicator.h:25:0, from tools/Communicator.h:1, from FuncSumHills.cpp:25: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ compiling Gyration.cpp In file included from core/../../core/tools/../../tools/Communicator.h:25:0, from core/../../core/tools/Communicator.h:1, from core/../../core/Atoms.h:25, from core/../../core/ActionAtomistic.h:27, from core/../../core/Colvar.h:25, from core/Colvar.h:1, from Colvar.h:24, from Gyration.cpp:22: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ compiling Template.cpp In file included from core/../../core/tools/../../tools/Communicator.h:25:0, from core/../../core/tools/Communicator.h:1, from core/../../core/Atoms.h:25, from core/../../core/ActionAtomistic.h:27, from core/../../core/Colvar.h:25, from core/Colvar.h:1, from Colvar.h:24, from Template.cpp:22: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ compiling DHEnergy.cpp In file included from core/../../core/tools/../../tools/Communicator.h:25:0, from core/../../core/tools/Communicator.h:1, from core/../../core/Atoms.h:25, from core/../../core/ActionAtomistic.h:27, from core/../../core/Colvar.h:25, from core/Colvar.h:1, from Colvar.h:24, from CoordinationBase.h:24, from DHEnergy.cpp:22: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ compiling Ensemble.cpp compiling Fake.cpp In file included from tools/../../tools/Communicator.h:25:0, from tools/Communicator.h:1, from Ensemble.cpp:24: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ In file included from core/../../core/tools/../../tools/Communicator.h:25:0, from core/../../core/tools/Communicator.h:1, from core/../../core/Atoms.h:25, from core/../../core/ActionAtomistic.h:27, from core/../../core/Colvar.h:25, from core/Colvar.h:1, from Colvar.h:24, from Fake.cpp:22: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ In file included from core/../../core/tools/../../tools/Keywords.h:29:0, from core/../../core/tools/Keywords.h:1, from core/../../core/Action.h:27, from core/../../core/ActionAtomistic.h:25, from core/../../core/Colvar.h:25, from core/Colvar.h:1, from Colvar.h:24, from Fake.cpp:22: Fake.cpp: In constructor 'PLMD::colvar::ColvarFake::ColvarFake(const PLMD::ActionOptions&)': Fake.cpp:90:58: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] plumed_massert(getNumberOfComponents()*2==period.size(),"the periodicty should coincide with the number of components"); ^ core/../../core/tools/../../tools/Exception.h:132:39: note: in definition of macro 'plumed_massert' #define plumed_massert(test,msg) if(!(test)) throw PLMD::Exception("assertion failed " #test ", " msg,__FILE__,__LINE__,__PRETTY_FUNCTION__) ^ compiling Combine.cpp make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/colvar' make -C ../generic obj make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/generic' compiling DumpAtoms.cpp compiling Target.cpp In file included from core/../../core/tools/../../tools/Communicator.h:25:0, from core/../../core/tools/Communicator.h:1, from core/../../core/Atoms.h:25, from core/../../core/ActionAtomistic.h:27, from core/ActionAtomistic.h:1, from DumpAtoms.cpp:22: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ In file included from reference/../../reference/tools/../../tools/Communicator.h:25:0, from reference/../../reference/tools/../../tools/DynamicList.h:26, from reference/../../reference/tools/../../tools/MultiValue.h:27, from reference/../../reference/tools/MultiValue.h:1, from reference/../../reference/ReferenceValuePack.h:25, from reference/../../reference/ReferenceConfiguration.h:31, from reference/../../reference/MetricRegister.h:32, from reference/MetricRegister.h:1, from Target.cpp:25: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ compiling Function.cpp compiling DumpForces.cpp compiling Sort.cpp compiling Include.cpp compiling FuncPathMSD.cpp FuncPathMSD.cpp: In constructor 'PLMD::function::FuncPathMSD::FuncPathMSD(const PLMD::ActionOptions&)': FuncPathMSD.cpp:184:47: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if(neigh_size>getNumberOfArguments()){ ^ compiling RandomExchanges.cpp compiling WholeMolecules.cpp In file included from core/../../core/tools/../../tools/Communicator.h:25:0, from core/../../core/tools/Communicator.h:1, from core/../../core/Atoms.h:25, from core/../../core/ActionAtomistic.h:27, from core/ActionAtomistic.h:1, from WholeMolecules.cpp:22: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ compiling Matheval.cpp compiling Piecewise.cpp compiling Flush.cpp compiling DumpProjections.cpp make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/function' make -C ../lapack obj make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/lapack' compiling lapack.cpp make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/lapack' make -C ../main obj make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/main' compiling main.cpp In file included from main.cpp:26:0: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ compiling Read.cpp In file included from core/../../core/tools/../../tools/Communicator.h:25:0, from core/../../core/tools/Communicator.h:1, from core/../../core/Atoms.h:25, from core/Atoms.h:1, from Read.cpp:27: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/main' make -C ../mapping obj make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/mapping' compiling ZpathVessel.cpp In file included from vesselbase/../../vesselbase/core/../../core/tools/../../tools/Communicator.h:25:0, from vesselbase/../../vesselbase/core/../../core/tools/Communicator.h:1, from vesselbase/../../vesselbase/core/../../core/Atoms.h:25, from vesselbase/../../vesselbase/core/../../core/ActionAtomistic.h:27, from vesselbase/../../vesselbase/core/ActionAtomistic.h:1, from vesselbase/../../vesselbase/ActionWithVessel.h:26, from vesselbase/../../vesselbase/Vessel.h:31, from vesselbase/../../vesselbase/ValueVessel.h:29, from vesselbase/../../vesselbase/FunctionVessel.h:28, from vesselbase/FunctionVessel.h:1, from ZpathVessel.cpp:23: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ compiling PathBase.cpp In file included from core/../../core/tools/../../tools/Communicator.h:25:0, from core/../../core/tools/Communicator.h:1, from core/../../core/Atoms.h:25, from core/../../core/ActionAtomistic.h:27, from core/ActionAtomistic.h:1, from Mapping.h:25, from PathBase.h:25, from PathBase.cpp:22: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ compiling Print.cpp compiling Path.cpp In file included from core/../../core/tools/../../tools/Communicator.h:25:0, from core/../../core/tools/Communicator.h:1, from core/../../core/Atoms.h:25, from core/../../core/ActionAtomistic.h:27, from core/ActionAtomistic.h:1, from Mapping.h:25, from PathBase.h:25, from Path.cpp:22: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ compiling FitToTemplate.cpp In file included from core/../../core/tools/../../tools/Communicator.h:25:0, from core/../../core/tools/Communicator.h:1, from core/../../core/Atoms.h:25, from core/../../core/ActionAtomistic.h:27, from core/ActionAtomistic.h:1, from FitToTemplate.cpp:22: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ compiling SpathVessel.cpp In file included from vesselbase/../../vesselbase/core/../../core/tools/../../tools/Communicator.h:25:0, from vesselbase/../../vesselbase/core/../../core/tools/Communicator.h:1, from vesselbase/../../vesselbase/core/../../core/Atoms.h:25, from vesselbase/../../vesselbase/core/../../core/ActionAtomistic.h:27, from vesselbase/../../vesselbase/core/ActionAtomistic.h:1, from vesselbase/../../vesselbase/ActionWithVessel.h:26, from vesselbase/../../vesselbase/Vessel.h:31, from vesselbase/../../vesselbase/ValueVessel.h:29, from vesselbase/../../vesselbase/FunctionVessel.h:28, from vesselbase/FunctionVessel.h:1, from SpathVessel.cpp:23: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ compiling EffectiveEnergyDrift.cpp compiling PCAVars.cpp In file included from core/../../core/tools/../../tools/Communicator.h:25:0, from core/../../core/tools/Communicator.h:1, from core/../../core/Atoms.h:25, from core/Atoms.h:1, from EffectiveEnergyDrift.cpp:34: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ EffectiveEnergyDrift.cpp: In constructor 'PLMD::generic::EffectiveEnergyDrift::EffectiveEnergyDrift(const PLMD::ActionOptions&)': EffectiveEnergyDrift.cpp:160:33: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] for(int i=0;iexists(tmpActions[i]->getLabel()+".bias")) biases.push_back(tmpActions[i]); ^ EffectiveEnergyDrift.cpp: In member function 'virtual void PLMD::generic::EffectiveEnergyDrift::update()': EffectiveEnergyDrift.cpp:189:34: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] for(int i=0;igetOutputQuantity("bias"); ^ In file included from core/../../core/tools/../../tools/Communicator.h:25:0, from core/../../core/tools/Communicator.h:1, from core/../../core/Atoms.h:25, from core/../../core/ActionAtomistic.h:27, from core/ActionAtomistic.h:1, from PCAVars.cpp:23: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ PCAVars.cpp: In constructor 'PLMD::mapping::PCAVars::PCAVars(const PLMD::ActionOptions&)': PCAVars.cpp:296:14: warning: unused variable 'dist' [-Wunused-variable] double dist=myframes.getFrame(i)->calc( myref->getReferencePositions(), fake_pbc, getArguments(), myref->getReferenceArguments(), mypack, true ); ^ PCAVars.cpp:326:44: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] for(unsigned i=0;iresizeDerivatives(nder); ^ PCAVars.cpp: In member function 'virtual void PLMD::mapping::PCAVars::calculate()': PCAVars.cpp:366:46: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] for(unsigned i=0;if); ^ compiling Time.cpp In file included from Gromacs.h:86:0, from gromacsplugin.cpp:62: endianswap.h: At global scope: endianswap.h:72:13: warning: 'void PLMD::molfile::swap2_unaligned(void*, long int)' defined but not used [-Wunused-function] static void swap2_unaligned(void *v, long ndata) { ^ endianswap.h:86:13: warning: 'void PLMD::molfile::swap4_unaligned(void*, long int)' defined but not used [-Wunused-function] static void swap4_unaligned(void *v, long ndata) { ^ endianswap.h:105:13: warning: 'void PLMD::molfile::swap8_unaligned(void*, long int)' defined but not used [-Wunused-function] static void swap8_unaligned(void *v, long ndata) { ^ endianswap.h:136:13: warning: 'void PLMD::molfile::swap2_aligned(void*, long int)' defined but not used [-Wunused-function] static void swap2_aligned(void *v, long ndata) { ^ compiling pdbplugin.cpp compiling Debug.cpp In file included from pdbplugin.cpp:64:0: periodic_table.h:173:12: warning: 'int PLMD::molfile::get_pte_idx(const char*)' defined but not used [-Wunused-function] static int get_pte_idx(const char *label) ^ make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/molfile' make -C ../multicolvar obj make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/multicolvar' compiling MultiColvarBase.cpp make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/generic' make -C ../reference obj make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/reference' compiling Direction.cpp In file included from core/../../core/tools/../../tools/Communicator.h:25:0, from core/../../core/tools/Communicator.h:1, from core/../../core/Atoms.h:25, from core/../../core/ActionAtomistic.h:27, from core/ActionAtomistic.h:1, from MultiColvarBase.h:25, from MultiColvarBase.cpp:22: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ In file included from ActionVolume.h:26:0, from MultiColvarBase.cpp:24: VolumeGradientBase.h: In member function 'PLMD::Vector PLMD::multicolvar::VolumeGradientBase::getPosition(int) const': VolumeGradientBase.h:84:27: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if( bridgeVariable>=3*iatom && bridgeVariable<(iatom+1)*3 ) tmp_p[bridgeVariable%3]+=sqrt(epsilon); ^ VolumeGradientBase.h:84:61: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if( bridgeVariable>=3*iatom && bridgeVariable<(iatom+1)*3 ) tmp_p[bridgeVariable%3]+=sqrt(epsilon); ^ MultiColvarBase.cpp: In member function 'void PLMD::multicolvar::MultiColvarBase::setupLinkCells()': MultiColvarBase.cpp:202:15: warning: unused variable 'justVolumes' [-Wunused-variable] bool justVolumes=true; ^ In file included from tools/../../tools/Communicator.h:25:0, from tools/../../tools/DynamicList.h:26, from tools/../../tools/MultiValue.h:27, from tools/MultiValue.h:1, from ReferenceValuePack.h:25, from ReferenceConfiguration.h:31, from MetricRegister.h:32, from Direction.cpp:22: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ compiling ReferenceConfiguration.cpp In file included from tools/../../tools/Communicator.h:25:0, from tools/../../tools/DynamicList.h:26, from tools/../../tools/MultiValue.h:27, from tools/MultiValue.h:1, from ReferenceValuePack.h:25, from ReferenceConfiguration.h:31, from ReferenceConfiguration.cpp:22: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ compiling BridgedMultiColvarFunction.cpp In file included from vesselbase/../../vesselbase/core/../../core/tools/../../tools/Communicator.h:25:0, from vesselbase/../../vesselbase/core/../../core/tools/Communicator.h:1, from vesselbase/../../vesselbase/core/../../core/Atoms.h:25, from vesselbase/../../vesselbase/core/../../core/ActionAtomistic.h:27, from vesselbase/../../vesselbase/core/ActionAtomistic.h:1, from vesselbase/../../vesselbase/ActionWithVessel.h:26, from vesselbase/../../vesselbase/Vessel.h:31, from vesselbase/../../vesselbase/BridgeVessel.h:28, from vesselbase/BridgeVessel.h:1, from BridgedMultiColvarFunction.h:25, from BridgedMultiColvarFunction.cpp:25: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ compiling EuclideanDistance.cpp In file included from tools/../../tools/Communicator.h:25:0, from tools/../../tools/DynamicList.h:26, from tools/../../tools/MultiValue.h:27, from tools/MultiValue.h:1, from ReferenceValuePack.h:25, from ReferenceConfiguration.h:31, from MetricRegister.h:32, from EuclideanDistance.cpp:22: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ compiling Torsions.cpp compiling DRMSD.cpp In file included from core/../../core/tools/../../tools/Communicator.h:25:0, from core/../../core/tools/Communicator.h:1, from core/../../core/Atoms.h:25, from core/../../core/ActionAtomistic.h:27, from core/ActionAtomistic.h:1, from MultiColvarBase.h:25, from MultiColvar.h:25, from Torsions.cpp:22: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ In file included from tools/../../tools/Communicator.h:25:0, from tools/../../tools/DynamicList.h:26, from tools/../../tools/MultiValue.h:27, from tools/MultiValue.h:1, from ReferenceValuePack.h:25, from ReferenceConfiguration.h:31, from ReferenceAtoms.h:25, from SingleDomainRMSD.h:25, from DRMSD.h:28, from DRMSD.cpp:22: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ compiling MahalanobisDistance.cpp compiling AlphaBeta.cpp In file included from tools/../../tools/Communicator.h:25:0, from tools/../../tools/DynamicList.h:26, from tools/../../tools/MultiValue.h:27, from tools/MultiValue.h:1, from ReferenceValuePack.h:25, from ReferenceConfiguration.h:31, from MetricRegister.h:32, from MahalanobisDistance.cpp:22: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ In file included from core/../../core/tools/../../tools/Communicator.h:25:0, from core/../../core/tools/Communicator.h:1, from core/../../core/Atoms.h:25, from core/../../core/ActionAtomistic.h:27, from core/ActionAtomistic.h:1, from MultiColvarBase.h:25, from MultiColvar.h:25, from AlphaBeta.cpp:22: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ compiling ArgumentOnlyDistance.cpp In file included from tools/../../tools/Communicator.h:25:0, from tools/../../tools/DynamicList.h:26, from tools/../../tools/MultiValue.h:27, from tools/MultiValue.h:1, from ReferenceValuePack.h:25, from ReferenceConfiguration.h:31, from ReferenceArguments.h:25, from ArgumentOnlyDistance.h:27, from ArgumentOnlyDistance.cpp:22: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ compiling MultiColvarFunction.cpp compiling MultiDomainRMSD.cpp In file included from core/../../core/tools/../../tools/Communicator.h:25:0, from core/../../core/tools/Communicator.h:1, from core/../../core/Atoms.h:25, from core/../../core/ActionAtomistic.h:27, from core/ActionAtomistic.h:1, from MultiColvarBase.h:25, from MultiColvarFunction.h:26, from MultiColvarFunction.cpp:22: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ MultiColvarFunction.cpp: In member function 'virtual void PLMD::multicolvar::MultiColvarFunction::calculateNumericalDerivatives(PLMD::ActionWithValue*)': MultiColvarFunction.cpp:236:50: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] for(unsigned k=0;k=3*iatom && bridgeVariable<(iatom+1)*3 ) tmp_p[bridgeVariable%3]+=sqrt(epsilon); ^ VolumeGradientBase.h:84:61: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if( bridgeVariable>=3*iatom && bridgeVariable<(iatom+1)*3 ) tmp_p[bridgeVariable%3]+=sqrt(epsilon); ^ compiling MultiReferenceBase.cpp In file included from tools/../../tools/Communicator.h:25:0, from tools/../../tools/DynamicList.h:26, from tools/../../tools/MultiValue.h:27, from tools/MultiValue.h:1, from ReferenceValuePack.h:25, from ReferenceConfiguration.h:31, from MultiReferenceBase.h:25, from MultiReferenceBase.cpp:22: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ compiling MetricRegister.cpp In file included from tools/../../tools/Communicator.h:25:0, from tools/../../tools/DynamicList.h:26, from tools/../../tools/MultiValue.h:27, from tools/MultiValue.h:1, from ReferenceValuePack.h:25, from ReferenceConfiguration.h:31, from MetricRegister.h:32, from MetricRegister.cpp:22: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ compiling MultiColvarDensity.cpp In file included from core/../../core/tools/../../tools/Communicator.h:25:0, from core/../../core/tools/Communicator.h:1, from core/../../core/Atoms.h:25, from core/../../core/ActionAtomistic.h:27, from core/ActionAtomistic.h:1, from MultiColvarDensity.cpp:22: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ compiling ReferenceAtoms.cpp In file included from tools/../../tools/Communicator.h:25:0, from tools/../../tools/DynamicList.h:26, from tools/../../tools/MultiValue.h:27, from tools/MultiValue.h:1, from ReferenceValuePack.h:25, from ReferenceConfiguration.h:31, from ReferenceAtoms.h:25, from ReferenceAtoms.cpp:22: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ compiling DotProductDistance.cpp In file included from tools/../../tools/Communicator.h:25:0, from tools/../../tools/DynamicList.h:26, from tools/../../tools/MultiValue.h:27, from tools/MultiValue.h:1, from ReferenceValuePack.h:25, from ReferenceConfiguration.h:31, from MetricRegister.h:32, from DotProductDistance.cpp:22: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ compiling MultiColvar.cpp compiling NormalizedEuclideanDistance.cpp In file included from core/../../core/tools/../../tools/Communicator.h:25:0, from core/../../core/tools/Communicator.h:1, from core/../../core/Atoms.h:25, from core/../../core/ActionAtomistic.h:27, from core/ActionAtomistic.h:1, from MultiColvarBase.h:25, from MultiColvar.h:25, from MultiColvar.cpp:22: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ MultiColvar.cpp: In member function 'void PLMD::multicolvar::MultiColvar::readAtomsLikeKeyword(const string&, int&, std::vector&)': MultiColvar.cpp:95:20: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if( t.size()!=natoms ){ ^ MultiColvar.cpp:99:25: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] for(unsigned j=0;j=3*iatom && bridgeVariable<(iatom+1)*3 ) tmp_p[bridgeVariable%3]+=sqrt(epsilon); ^ VolumeGradientBase.h:84:61: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if( bridgeVariable>=3*iatom && bridgeVariable<(iatom+1)*3 ) tmp_p[bridgeVariable%3]+=sqrt(epsilon); ^ compiling DumpMultiColvar.cpp In file included from core/../../core/tools/../../tools/Communicator.h:25:0, from core/../../core/tools/Communicator.h:1, from core/../../core/Atoms.h:25, from core/../../core/ActionAtomistic.h:27, from core/ActionAtomistic.h:1, from DumpMultiColvar.cpp:22: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/secondarystructure' make -C ../setup obj make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/setup' compiling Units.cpp In file included from core/../../core/tools/../../tools/Communicator.h:25:0, from core/../../core/tools/Communicator.h:1, from core/../../core/Atoms.h:25, from core/Atoms.h:1, from Units.cpp:25: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ compiling VolumeInCylinder.cpp compiling Restart.cpp In file included from vesselbase/../../vesselbase/core/../../core/tools/../../tools/Communicator.h:25:0, from vesselbase/../../vesselbase/core/../../core/tools/Communicator.h:1, from vesselbase/../../vesselbase/core/../../core/Atoms.h:25, from vesselbase/../../vesselbase/core/../../core/ActionAtomistic.h:27, from vesselbase/../../vesselbase/core/ActionAtomistic.h:1, from vesselbase/../../vesselbase/ActionWithVessel.h:26, from vesselbase/../../vesselbase/Vessel.h:31, from vesselbase/../../vesselbase/BridgeVessel.h:28, from vesselbase/BridgeVessel.h:1, from BridgedMultiColvarFunction.h:25, from VolumeGradientBase.h:25, from ActionVolume.h:26, from VolumeInCylinder.cpp:25: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ In file included from ActionVolume.h:26:0, from VolumeInCylinder.cpp:25: VolumeGradientBase.h: In member function 'PLMD::Vector PLMD::multicolvar::VolumeGradientBase::getPosition(int) const': VolumeGradientBase.h:84:27: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if( bridgeVariable>=3*iatom && bridgeVariable<(iatom+1)*3 ) tmp_p[bridgeVariable%3]+=sqrt(epsilon); ^ VolumeGradientBase.h:84:61: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if( bridgeVariable>=3*iatom && bridgeVariable<(iatom+1)*3 ) tmp_p[bridgeVariable%3]+=sqrt(epsilon); ^ In file included from core/../../core/tools/../../tools/Communicator.h:25:0, from core/../../core/tools/Communicator.h:1, from core/../../core/Atoms.h:25, from core/Atoms.h:1, from Restart.cpp:25: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ compiling MolInfo.cpp In file included from core/../../core/tools/../../tools/Communicator.h:25:0, from core/../../core/tools/Communicator.h:1, from core/../../core/Atoms.h:25, from core/../../core/ActionAtomistic.h:27, from core/../../core/SetupMolInfo.h:26, from core/SetupMolInfo.h:1, from MolInfo.cpp:23: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ compiling CoordinationNumbers.cpp In file included from core/../../core/tools/../../tools/Communicator.h:25:0, from core/../../core/tools/Communicator.h:1, from core/../../core/Atoms.h:25, from core/../../core/ActionAtomistic.h:27, from core/ActionAtomistic.h:1, from MultiColvarBase.h:25, from MultiColvar.h:25, from CoordinationNumbers.cpp:22: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ compiling Load.cpp make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/setup' make -C ../tools obj make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/tools' compiling Torsion.cpp compiling Tensor.cpp compiling CubicInterpolation.cpp compiling Density.cpp CubicInterpolation.cpp: In member function 'unsigned int PLMD::CInterpolation::search1(const unsigned int&, const double&, const unsigned int&) const': CubicInterpolation.cpp:83:41: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] else if( ju>=(np[kk]-1)*inc ){ju=(np[kk]-1)*inc; break; } ^ In file included from core/../../core/tools/../../tools/Communicator.h:25:0, from core/../../core/tools/Communicator.h:1, from core/../../core/Atoms.h:25, from core/../../core/ActionAtomistic.h:27, from core/ActionAtomistic.h:1, from MultiColvarBase.h:25, from MultiColvar.h:25, from Density.cpp:22: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ compiling HistogramBead.cpp compiling XDistances.cpp compiling RMSD.cpp In file included from core/../../core/tools/../../tools/Communicator.h:25:0, from core/../../core/tools/Communicator.h:1, from core/../../core/Atoms.h:25, from core/../../core/ActionAtomistic.h:27, from core/ActionAtomistic.h:1, from MultiColvarBase.h:25, from MultiColvar.h:25, from XDistances.cpp:22: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ RMSD.cpp: In member function 'std::vector > PLMD::RMSDCoreData::getDDistanceDReferenceSOMA()': RMSD.cpp:1057:10: warning: variable 't_ddist_drr01' set but not used [-Wunused-but-set-variable] Tensor t_ddist_drr01=ddist_drr01.transpose(); ^ compiling Bridge.cpp In file included from core/../../core/tools/../../tools/Communicator.h:25:0, from core/../../core/tools/Communicator.h:1, from core/../../core/Atoms.h:25, from core/../../core/ActionAtomistic.h:27, from core/ActionAtomistic.h:1, from MultiColvarBase.h:25, from MultiColvar.h:25, from Bridge.cpp:22: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ compiling Sprint.cpp In file included from core/../../core/tools/../../tools/Communicator.h:25:0, from core/../../core/tools/Communicator.h:1, from core/../../core/Atoms.h:25, from core/../../core/ActionAtomistic.h:27, from core/ActionAtomistic.h:1, from MultiColvarBase.h:25, from MultiColvarFunction.h:26, from AdjacencyMatrixAction.h:25, from Sprint.cpp:22: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ Sprint.cpp: In member function 'virtual void PLMD::multicolvar::Sprint::completeCalculation()': Sprint.cpp:162:53: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] for(unsigned icomp=0;icomp PLMD::Grid::getNeighbors(const std::vector&, const std::vector&) const': Grid.cpp:280:30: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if(!pbc_[i] && i0>=nbin_[i]) continue; ^ Grid.cpp:282:30: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if( pbc_[i] && i0>=nbin_[i]) i0%=nbin_[i]; ^ compiling XYDistances.cpp In file included from core/../../core/tools/../../tools/Communicator.h:25:0, from core/../../core/tools/Communicator.h:1, from core/../../core/Atoms.h:25, from core/../../core/ActionAtomistic.h:27, from core/ActionAtomistic.h:1, from MultiColvarBase.h:25, from MultiColvar.h:25, from XYDistances.cpp:22: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ compiling VolumeGradientBase.cpp In file included from vesselbase/../../vesselbase/core/../../core/tools/../../tools/Communicator.h:25:0, from vesselbase/../../vesselbase/core/../../core/tools/Communicator.h:1, from vesselbase/../../vesselbase/core/../../core/Atoms.h:25, from vesselbase/../../vesselbase/core/../../core/ActionAtomistic.h:27, from vesselbase/../../vesselbase/core/ActionAtomistic.h:1, from vesselbase/../../vesselbase/ActionWithVessel.h:26, from vesselbase/../../vesselbase/Vessel.h:31, from vesselbase/../../vesselbase/BridgeVessel.h:28, from vesselbase/BridgeVessel.h:1, from BridgedMultiColvarFunction.h:25, from VolumeGradientBase.h:25, from VolumeGradientBase.cpp:22: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ In file included from VolumeGradientBase.cpp:22:0: VolumeGradientBase.h: In member function 'PLMD::Vector PLMD::multicolvar::VolumeGradientBase::getPosition(int) const': VolumeGradientBase.h:84:27: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if( bridgeVariable>=3*iatom && bridgeVariable<(iatom+1)*3 ) tmp_p[bridgeVariable%3]+=sqrt(epsilon); ^ VolumeGradientBase.h:84:61: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if( bridgeVariable>=3*iatom && bridgeVariable<(iatom+1)*3 ) tmp_p[bridgeVariable%3]+=sqrt(epsilon); ^ compiling BiasRepresentation.cpp In file included from Communicator.h:25:0, from BiasRepresentation.cpp:23: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ compiling LocalAverage.cpp In file included from core/../../core/tools/../../tools/Communicator.h:25:0, from core/../../core/tools/Communicator.h:1, from core/../../core/Atoms.h:25, from core/../../core/ActionAtomistic.h:27, from core/ActionAtomistic.h:1, from MultiColvarBase.h:25, from MultiColvarFunction.h:26, from LocalAverage.cpp:22: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ LocalAverage.cpp: In member function 'virtual double PLMD::multicolvar::LocalAverage::compute(const unsigned int&, PLMD::multicolvar::AtomValuePack&) const': LocalAverage.cpp:155:10: warning: variable 'catom_pos' set but not used [-Wunused-but-set-variable] Vector catom_pos=myatoms.getPosition(0); ^ compiling Tools.cpp compiling AdjacencyMatrixAction.cpp In file included from core/../../core/tools/../../tools/Communicator.h:25:0, from core/../../core/tools/Communicator.h:1, from core/../../core/Atoms.h:25, from core/../../core/ActionAtomistic.h:27, from core/ActionAtomistic.h:1, from MultiColvarBase.h:25, from MultiColvarFunction.h:26, from AdjacencyMatrixAction.h:25, from AdjacencyMatrixAction.cpp:22: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ compiling SwitchingFunction.cpp compiling OpenMP.cpp compiling LinkCells.cpp In file included from Communicator.h:25:0, from LinkCells.cpp:23: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ AdjacencyMatrixAction.cpp: In constructor 'PLMD::multicolvar::AdjacencyMatrixAction::AdjacencyMatrixAction(const PLMD::ActionOptions&)': AdjacencyMatrixAction.cpp:56:20: warning: 'ibase' may be used uninitialized in this function [-Wmaybe-uninitialized] unsigned ibase; ^ AdjacencyMatrixAction.cpp: In constructor 'PLMD::multicolvar::AdjacencyMatrixAction::AdjacencyMatrixAction(const PLMD::ActionOptions&)': AdjacencyMatrixAction.cpp:56:20: warning: 'ibase' may be used uninitialized in this function [-Wmaybe-uninitialized] compiling ActionVolume.cpp compiling NeighborList.cpp In file included from vesselbase/../../vesselbase/core/../../core/tools/../../tools/Communicator.h:25:0, from vesselbase/../../vesselbase/core/../../core/tools/Communicator.h:1, from vesselbase/../../vesselbase/core/../../core/Atoms.h:25, from vesselbase/../../vesselbase/core/../../core/ActionAtomistic.h:27, from vesselbase/../../vesselbase/core/ActionAtomistic.h:1, from vesselbase/../../vesselbase/ActionWithVessel.h:26, from vesselbase/../../vesselbase/Vessel.h:31, from vesselbase/../../vesselbase/BridgeVessel.h:28, from vesselbase/BridgeVessel.h:1, from BridgedMultiColvarFunction.h:25, from VolumeGradientBase.h:25, from ActionVolume.h:26, from ActionVolume.cpp:22: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ In file included from ActionVolume.h:26:0, from ActionVolume.cpp:22: VolumeGradientBase.h: In member function 'PLMD::Vector PLMD::multicolvar::VolumeGradientBase::getPosition(int) const': VolumeGradientBase.h:84:27: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if( bridgeVariable>=3*iatom && bridgeVariable<(iatom+1)*3 ) tmp_p[bridgeVariable%3]+=sqrt(epsilon); ^ VolumeGradientBase.h:84:61: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if( bridgeVariable>=3*iatom && bridgeVariable<(iatom+1)*3 ) tmp_p[bridgeVariable%3]+=sqrt(epsilon); ^ compiling MolDataClass.cpp compiling VolumeTetrapore.cpp In file included from core/../../core/tools/../../tools/Communicator.h:25:0, from core/../../core/tools/Communicator.h:1, from core/../../core/Atoms.h:25, from core/Atoms.h:1, from VolumeTetrapore.cpp:24: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ In file included from ActionVolume.h:26:0, from VolumeTetrapore.cpp:27: VolumeGradientBase.h: In member function 'PLMD::Vector PLMD::multicolvar::VolumeGradientBase::getPosition(int) const': VolumeGradientBase.h:84:27: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if( bridgeVariable>=3*iatom && bridgeVariable<(iatom+1)*3 ) tmp_p[bridgeVariable%3]+=sqrt(epsilon); ^ VolumeGradientBase.h:84:61: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if( bridgeVariable>=3*iatom && bridgeVariable<(iatom+1)*3 ) tmp_p[bridgeVariable%3]+=sqrt(epsilon); ^ compiling PDB.cpp compiling FileBase.cpp In file included from Communicator.h:25:0, from FileBase.cpp:27: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ compiling DihedralCorrelation.cpp compiling LatticeReduction.cpp In file included from core/../../core/tools/../../tools/Communicator.h:25:0, from core/../../core/tools/Communicator.h:1, from core/../../core/Atoms.h:25, from core/../../core/ActionAtomistic.h:27, from core/ActionAtomistic.h:1, from MultiColvarBase.h:25, from MultiColvar.h:25, from DihedralCorrelation.cpp:22: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ compiling Exception.cpp compiling KernelFunctions.cpp KernelFunctions.cpp: In constructor 'PLMD::KernelFunctions::KernelFunctions(const string&, const bool&)': KernelFunctions.cpp:98:8: warning: unused variable 'founds' [-Wunused-variable] bool founds = Tools::parseVector(data,"SIGMA",sig); ^ compiling MultiColvarFilter.cpp In file included from vesselbase/../../vesselbase/core/../../core/tools/../../tools/Communicator.h:25:0, from vesselbase/../../vesselbase/core/../../core/tools/Communicator.h:1, from vesselbase/../../vesselbase/core/../../core/Atoms.h:25, from vesselbase/../../vesselbase/core/../../core/ActionAtomistic.h:27, from vesselbase/../../vesselbase/core/ActionAtomistic.h:1, from vesselbase/../../vesselbase/ActionWithVessel.h:26, from vesselbase/../../vesselbase/Vessel.h:31, from vesselbase/../../vesselbase/BridgeVessel.h:28, from vesselbase/BridgeVessel.h:1, from BridgedMultiColvarFunction.h:25, from MultiColvarFilter.h:26, from MultiColvarFilter.cpp:22: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ compiling DLLoader.cpp compiling OptimalAlignment.cpp compiling Angle.cpp make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/multicolvar' make -C ../vatom obj make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/vatom' compiling Ghost.cpp compiling Communicator.cpp In file included from Communicator.h:25:0, from Communicator.cpp:23: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ In file included from core/../../core/tools/../../tools/Communicator.h:25:0, from core/../../core/tools/Communicator.h:1, from core/../../core/Atoms.h:25, from core/../../core/ActionAtomistic.h:27, from core/../../core/ActionWithVirtualAtom.h:25, from core/ActionWithVirtualAtom.h:1, from ActionWithVirtualAtom.h:24, from Ghost.cpp:22: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ compiling Citations.cpp compiling Kearsley.cpp compiling COM.cpp In file included from core/../../core/tools/../../tools/Communicator.h:25:0, from core/../../core/tools/Communicator.h:1, from core/../../core/Atoms.h:25, from core/../../core/ActionAtomistic.h:27, from core/../../core/ActionWithVirtualAtom.h:25, from core/ActionWithVirtualAtom.h:1, from ActionWithVirtualAtom.h:24, from COM.cpp:22: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ compiling Center.cpp compiling Log.cpp compiling OFile.cpp In file included from core/../../core/tools/../../tools/Communicator.h:25:0, from core/../../core/tools/Communicator.h:1, from core/../../core/Atoms.h:25, from core/../../core/ActionAtomistic.h:27, from core/../../core/ActionWithVirtualAtom.h:25, from core/ActionWithVirtualAtom.h:1, from ActionWithVirtualAtom.h:24, from Center.cpp:22: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ In file included from Communicator.h:25:0, from OFile.cpp:27: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ OFile.cpp: In constructor 'PLMD::OFile::OFile()': OFile.cpp:73:22: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] for(unsigned i=0;i=buflen-actual_buffer_length){ ^ OFile.cpp:103:21: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] while(newlen<=r+actual_buffer_length) newlen*=2; ^ In file included from OFile.cpp:23:0: OFile.cpp:115:35: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] plumed_massert(r>-1 && rgetSizeOfBuffer( start ); ^ compiling ShortcutVessel.cpp compiling Min.cpp In file included from core/../../core/tools/../../tools/Communicator.h:25:0, from core/../../core/tools/Communicator.h:1, from core/../../core/Atoms.h:25, from core/../../core/ActionAtomistic.h:27, from core/ActionAtomistic.h:1, from ActionWithVessel.h:26, from Vessel.h:31, from ShortcutVessel.h:28, from ShortcutVessel.cpp:22: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ In file included from core/../../core/tools/../../tools/Communicator.h:25:0, from core/../../core/tools/Communicator.h:1, from core/../../core/Atoms.h:25, from core/../../core/ActionAtomistic.h:27, from core/ActionAtomistic.h:1, from ActionWithVessel.h:26, from Vessel.h:31, from ValueVessel.h:29, from FunctionVessel.h:28, from Min.cpp:23: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ compiling OrderingVessel.cpp compiling Histogram.cpp In file included from core/../../core/tools/../../tools/Communicator.h:25:0, from core/../../core/tools/Communicator.h:1, from core/../../core/Atoms.h:25, from core/../../core/ActionAtomistic.h:27, from core/ActionAtomistic.h:1, from ActionWithVessel.h:26, from Vessel.h:31, from ValueVessel.h:29, from OrderingVessel.h:28, from OrderingVessel.cpp:22: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ In file included from core/../../core/tools/../../tools/Communicator.h:25:0, from core/../../core/tools/Communicator.h:1, from core/../../core/Atoms.h:25, from core/../../core/ActionAtomistic.h:27, from core/ActionAtomistic.h:1, from ActionWithVessel.h:26, from Vessel.h:31, from ShortcutVessel.h:28, from Histogram.cpp:24: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ compiling FunctionVessel.cpp compiling Mean.cpp In file included from core/../../core/tools/../../tools/Communicator.h:25:0, from core/../../core/tools/Communicator.h:1, from core/../../core/Atoms.h:25, from core/../../core/ActionAtomistic.h:27, from core/ActionAtomistic.h:1, from ActionWithVessel.h:26, from Vessel.h:31, from ValueVessel.h:29, from FunctionVessel.h:28, from FunctionVessel.cpp:22: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ In file included from core/../../core/tools/../../tools/Communicator.h:25:0, from core/../../core/tools/Communicator.h:1, from core/../../core/Atoms.h:25, from core/../../core/ActionAtomistic.h:27, from core/ActionAtomistic.h:1, from ActionWithVessel.h:26, from Vessel.h:31, from ValueVessel.h:29, from FunctionVessel.h:28, from Mean.cpp:23: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ compiling ValueVessel.cpp compiling ActionWithInputVessel.cpp In file included from core/../../core/tools/../../tools/Communicator.h:25:0, from core/../../core/tools/Communicator.h:1, from core/../../core/Atoms.h:25, from core/../../core/ActionAtomistic.h:27, from core/ActionAtomistic.h:1, from ActionWithVessel.h:26, from Vessel.h:31, from ValueVessel.h:29, from ValueVessel.cpp:22: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ In file included from core/../../core/tools/../../tools/Communicator.h:25:0, from core/../../core/tools/Communicator.h:1, from core/../../core/Atoms.h:25, from core/../../core/ActionAtomistic.h:27, from core/ActionAtomistic.h:1, from ActionWithVessel.h:26, from Vessel.h:31, from ActionWithInputVessel.h:26, from ActionWithInputVessel.cpp:22: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ compiling VesselRegister.cpp compiling Highest.cpp In file included from core/../../core/tools/../../tools/Communicator.h:25:0, from core/../../core/tools/Communicator.h:1, from core/../../core/Atoms.h:25, from core/../../core/ActionAtomistic.h:27, from core/ActionAtomistic.h:1, from ActionWithVessel.h:26, from Vessel.h:31, from VesselRegister.cpp:22: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ In file included from core/../../core/tools/../../tools/Communicator.h:25:0, from core/../../core/tools/Communicator.h:1, from core/../../core/Atoms.h:25, from core/../../core/ActionAtomistic.h:27, from core/ActionAtomistic.h:1, from ActionWithVessel.h:26, from Vessel.h:31, from ValueVessel.h:29, from OrderingVessel.h:28, from Highest.cpp:22: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ compiling Moments.cpp In file included from core/../../core/tools/../../tools/Communicator.h:25:0, from core/../../core/tools/Communicator.h:1, from core/../../core/Atoms.h:25, from core/../../core/ActionAtomistic.h:27, from core/ActionAtomistic.h:1, from ActionWithVessel.h:26, from Vessel.h:31, from StoreDataVessel.h:28, from Moments.cpp:23: /usr/include/openmpi-x86_64/mpi.h:142:35: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_OFFSET_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:322:9: note: in expansion of macro 'OMPI_MPI_OFFSET_TYPE' typedef OMPI_MPI_OFFSET_TYPE MPI_Offset; ^ /usr/include/openmpi-x86_64/mpi.h:151:34: warning: ISO C++ 1998 does not support 'long long' [-Wlong-long] #define OMPI_MPI_COUNT_TYPE long long ^ /usr/include/openmpi-x86_64/mpi.h:323:9: note: in expansion of macro 'OMPI_MPI_COUNT_TYPE' typedef OMPI_MPI_COUNT_TYPE MPI_Count; ^ make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/vesselbase' make[5]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/lib' make[4]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/lib' make lib make[4]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/lib' mpic++ ../main/main.o ../analysis/Analysis.o ../analysis/AnalysisWithLandmarks.o ../analysis/ClassicalMultiDimensionalScaling.o ../analysis/ClassicalScaling.o ../analysis/Commit.o ../analysis/Histogram.o ../analysis/LandmarkRegister.o ../analysis/LandmarkSelectionBase.o ../analysis/SelectAllFrames.o ../bias/ABMD.o ../bias/Bias.o ../bias/BiasValue.o ../bias/ExtendedLagrangian.o ../bias/External.o ../bias/LWalls.o ../bias/MetaD.o ../bias/MovingRestraint.o ../bias/PBMetaD.o ../bias/Restraint.o ../bias/UWalls.o ../blas/blas.o ../cltools/Driver.o ../cltools/DriverDouble.o ../cltools/DriverFloat.o ../cltools/GenTemplate.o ../cltools/Info.o ../cltools/Manual.o ../cltools/SimpleMD.o ../cltools/SumHills.o ../cltools/kT.o ../colvar/Angle.o ../colvar/CH3Shifts.o ../colvar/CS2Backbone.o ../colvar/Cell.o ../colvar/Constant.o ../colvar/ContactMap.o ../colvar/Coordination.o ../colvar/CoordinationBase.o ../colvar/DHEnergy.o ../colvar/DRMSD.o ../colvar/Dipole.o ../colvar/Distance.o ../colvar/Energy.o ../colvar/Fake.o ../colvar/Gyration.o ../colvar/MultiRMSD.o ../colvar/NOE.o ../colvar/PCARMSD.o ../colvar/PathMSD.o ../colvar/PathMSDBase.o ../colvar/Position.o ../colvar/PropertyMap.o ../colvar/Puckering.o ../colvar/RDC.o ../colvar/RMSD.o ../colvar/Template.o ../colvar/Torsion.o ../colvar/Volume.o ../core/Action.o ../core/ActionAtomistic.o ../core/ActionPilot.o ../core/ActionRegister.o ../core/ActionSet.o ../core/ActionSetup.o ../core/ActionWithArguments.o ../core/ActionWithValue.o ../core/ActionWithVirtualAtom.o ../core/Atoms.o ../core/CLTool.o ../core/CLToolMain.o ../core/CLToolRegister.o ../core/Colvar.o ../core/ExchangePatterns.o ../core/FlexibleBin.o ../core/GREX.o ../core/MDAtoms.o ../core/PlumedMain.o ../core/PlumedMainInitializer.o ../core/SetupMolInfo.o ../core/TargetDist.o ../core/Value.o ../function/Combine.o ../function/Ensemble.o ../function/FuncPathMSD.o ../function/FuncSumHills.o ../function/Function.o ../function/Matheval.o ../function/Piecewise.o ../function/Sort.o ../function/Target.o ../generic/Debug.o ../generic/DumpAtoms.o ../generic/DumpDerivatives.o ../generic/DumpForces.o ../generic/DumpMassCharge.o ../generic/DumpProjections.o ../generic/EffectiveEnergyDrift.o ../generic/FitToTemplate.o ../generic/Flush.o ../generic/Group.o ../generic/Include.o ../generic/Print.o ../generic/RandomExchanges.o ../generic/Read.o ../generic/Time.o ../generic/WholeMolecules.o ../generic/WrapAround.o ../lapack/lapack.o ../mapping/Mapping.o ../mapping/PCAVars.o ../mapping/Path.o ../mapping/PathBase.o ../mapping/PropertyMap.o ../mapping/SpathVessel.o ../mapping/ZpathVessel.o ../molfile/crdplugin.o ../molfile/dcdplugin.o ../molfile/gromacsplugin.o ../molfile/pdbplugin.o ../multicolvar/ActionVolume.o ../multicolvar/AdjacencyMatrixAction.o ../multicolvar/AdjacencyMatrixVessel.o ../multicolvar/AlphaBeta.o ../multicolvar/Angles.o ../multicolvar/AtomValuePack.o ../multicolvar/Bridge.o ../multicolvar/BridgedMultiColvarFunction.o ../multicolvar/CatomPack.o ../multicolvar/CoordinationNumbers.o ../multicolvar/Density.o ../multicolvar/DihedralCorrelation.o ../multicolvar/Distances.o ../multicolvar/DumpMultiColvar.o ../multicolvar/FilterBetween.o ../multicolvar/FilterLessThan.o ../multicolvar/FilterMoreThan.o ../multicolvar/InPlaneDistances.o ../multicolvar/LocalAverage.o ../multicolvar/MultiColvar.o ../multicolvar/MultiColvarBase.o ../multicolvar/MultiColvarDensity.o ../multicolvar/MultiColvarFilter.o ../multicolvar/MultiColvarFunction.o ../multicolvar/NumberOfLinks.o ../multicolvar/Sprint.o ../multicolvar/Torsions.o ../multicolvar/VolumeAround.o ../multicolvar/VolumeCavity.o ../multicolvar/VolumeGradientBase.o ../multicolvar/VolumeInCylinder.o ../multicolvar/VolumeTetrapore.o ../multicolvar/XDistances.o ../multicolvar/XYDistances.o ../reference/ArgumentOnlyDistance.o ../reference/DRMSD.o ../reference/Direction.o ../reference/DotProductDistance.o ../reference/EuclideanDistance.o ../reference/MahalanobisDistance.o ../reference/MetricRegister.o ../reference/MultiDomainRMSD.o ../reference/MultiReferenceBase.o ../reference/NormalizedEuclideanDistance.o ../reference/OptimalRMSD.o ../reference/PointWiseMapping.o ../reference/RMSDBase.o ../reference/ReferenceArguments.o ../reference/ReferenceAtoms.o ../reference/ReferenceConfiguration.o ../reference/ReferenceValuePack.o ../reference/SimpleRMSD.o ../reference/SingleDomainRMSD.o ../secondarystructure/AlphaRMSD.o ../secondarystructure/AntibetaRMSD.o ../secondarystructure/ParabetaRMSD.o ../secondarystructure/SecondaryStructureRMSD.o ../setup/Load.o ../setup/MolInfo.o ../setup/Restart.o ../setup/Units.o ../tools/Angle.o ../tools/BiasRepresentation.o ../tools/Citations.o ../tools/Communicator.o ../tools/CubicInterpolation.o ../tools/DLLoader.o ../tools/Exception.o ../tools/FileBase.o ../tools/Grid.o ../tools/HistogramBead.o ../tools/IFile.o ../tools/Kearsley.o ../tools/KernelFunctions.o ../tools/Keywords.o ../tools/LatticeReduction.o ../tools/LinkCells.o ../tools/Log.o ../tools/MolDataClass.o ../tools/MultiValue.o ../tools/NeighborList.o ../tools/OFile.o ../tools/OpenMP.o ../tools/OptimalAlignment.o ../tools/PDB.o ../tools/Pbc.o ../tools/RMSD.o ../tools/Random.o ../tools/Stopwatch.o ../tools/SwitchingFunction.o ../tools/Tensor.o ../tools/Tools.o ../tools/Torsion.o ../tools/Units.o ../tools/Vector.o ../vatom/COM.o ../vatom/Center.o ../vatom/Ghost.o ../vesselbase/ActionWithInputVessel.o ../vesselbase/ActionWithVessel.o ../vesselbase/AltMin.o ../vesselbase/Between.o ../vesselbase/BridgeVessel.o ../vesselbase/FunctionVessel.o ../vesselbase/Highest.o ../vesselbase/Histogram.o ../vesselbase/LessThan.o ../vesselbase/Lowest.o ../vesselbase/Max.o ../vesselbase/Mean.o ../vesselbase/Min.o ../vesselbase/Moments.o ../vesselbase/MoreThan.o ../vesselbase/OrderingVessel.o ../vesselbase/ShortcutVessel.o ../vesselbase/StoreDataVessel.o ../vesselbase/Sum.o ../vesselbase/ValueVessel.o ../vesselbase/Vessel.o ../vesselbase/VesselRegister.o ../config/Config.o ../wrapper/PlumedStatic.o -o plumed -ldl -lz -lmatheval -ldl -lopenblas -Wl,--as-needed -rdynamic -fopenmp Building Plumed.inc chmod a+x plumed-mklib chmod a+x plumed-newcv chmod a+x plumed-patch mpic++ -shared -o libplumedKernel.so ../analysis/Analysis.o ../analysis/AnalysisWithLandmarks.o ../analysis/ClassicalMultiDimensionalScaling.o ../analysis/ClassicalScaling.o ../analysis/Commit.o ../analysis/Histogram.o ../analysis/LandmarkRegister.o ../analysis/LandmarkSelectionBase.o ../analysis/SelectAllFrames.o ../bias/ABMD.o ../bias/Bias.o ../bias/BiasValue.o ../bias/ExtendedLagrangian.o ../bias/External.o ../bias/LWalls.o ../bias/MetaD.o ../bias/MovingRestraint.o ../bias/PBMetaD.o ../bias/Restraint.o ../bias/UWalls.o ../blas/blas.o ../cltools/Driver.o ../cltools/DriverDouble.o ../cltools/DriverFloat.o ../cltools/GenTemplate.o ../cltools/Info.o ../cltools/Manual.o ../cltools/SimpleMD.o ../cltools/SumHills.o ../cltools/kT.o ../colvar/Angle.o ../colvar/CH3Shifts.o ../colvar/CS2Backbone.o ../colvar/Cell.o ../colvar/Constant.o ../colvar/ContactMap.o ../colvar/Coordination.o ../colvar/CoordinationBase.o ../colvar/DHEnergy.o ../colvar/DRMSD.o ../colvar/Dipole.o ../colvar/Distance.o ../colvar/Energy.o ../colvar/Fake.o ../colvar/Gyration.o ../colvar/MultiRMSD.o ../colvar/NOE.o ../colvar/PCARMSD.o ../colvar/PathMSD.o ../colvar/PathMSDBase.o ../colvar/Position.o ../colvar/PropertyMap.o ../colvar/Puckering.o ../colvar/RDC.o ../colvar/RMSD.o ../colvar/Template.o ../colvar/Torsion.o ../colvar/Volume.o ../core/Action.o ../core/ActionAtomistic.o ../core/ActionPilot.o ../core/ActionRegister.o ../core/ActionSet.o ../core/ActionSetup.o ../core/ActionWithArguments.o ../core/ActionWithValue.o ../core/ActionWithVirtualAtom.o ../core/Atoms.o ../core/CLTool.o ../core/CLToolMain.o ../core/CLToolRegister.o ../core/Colvar.o ../core/ExchangePatterns.o ../core/FlexibleBin.o ../core/GREX.o ../core/MDAtoms.o ../core/PlumedMain.o ../core/PlumedMainInitializer.o ../core/SetupMolInfo.o ../core/TargetDist.o ../core/Value.o ../function/Combine.o ../function/Ensemble.o ../function/FuncPathMSD.o ../function/FuncSumHills.o ../function/Function.o ../function/Matheval.o ../function/Piecewise.o ../function/Sort.o ../function/Target.o ../generic/Debug.o ../generic/DumpAtoms.o ../generic/DumpDerivatives.o ../generic/DumpForces.o ../generic/DumpMassCharge.o ../generic/DumpProjections.o ../generic/EffectiveEnergyDrift.o ../generic/FitToTemplate.o ../generic/Flush.o ../generic/Group.o ../generic/Include.o ../generic/Print.o ../generic/RandomExchanges.o ../generic/Read.o ../generic/Time.o ../generic/WholeMolecules.o ../generic/WrapAround.o ../lapack/lapack.o ../mapping/Mapping.o ../mapping/PCAVars.o ../mapping/Path.o ../mapping/PathBase.o ../mapping/PropertyMap.o ../mapping/SpathVessel.o ../mapping/ZpathVessel.o ../molfile/crdplugin.o ../molfile/dcdplugin.o ../molfile/gromacsplugin.o ../molfile/pdbplugin.o ../multicolvar/ActionVolume.o ../multicolvar/AdjacencyMatrixAction.o ../multicolvar/AdjacencyMatrixVessel.o ../multicolvar/AlphaBeta.o ../multicolvar/Angles.o ../multicolvar/AtomValuePack.o ../multicolvar/Bridge.o ../multicolvar/BridgedMultiColvarFunction.o ../multicolvar/CatomPack.o ../multicolvar/CoordinationNumbers.o ../multicolvar/Density.o ../multicolvar/DihedralCorrelation.o ../multicolvar/Distances.o ../multicolvar/DumpMultiColvar.o ../multicolvar/FilterBetween.o ../multicolvar/FilterLessThan.o ../multicolvar/FilterMoreThan.o ../multicolvar/InPlaneDistances.o ../multicolvar/LocalAverage.o ../multicolvar/MultiColvar.o ../multicolvar/MultiColvarBase.o ../multicolvar/MultiColvarDensity.o ../multicolvar/MultiColvarFilter.o ../multicolvar/MultiColvarFunction.o ../multicolvar/NumberOfLinks.o ../multicolvar/Sprint.o ../multicolvar/Torsions.o ../multicolvar/VolumeAround.o ../multicolvar/VolumeCavity.o ../multicolvar/VolumeGradientBase.o ../multicolvar/VolumeInCylinder.o ../multicolvar/VolumeTetrapore.o ../multicolvar/XDistances.o ../multicolvar/XYDistances.o ../reference/ArgumentOnlyDistance.o ../reference/DRMSD.o ../reference/Direction.o ../reference/DotProductDistance.o ../reference/EuclideanDistance.o ../reference/MahalanobisDistance.o ../reference/MetricRegister.o ../reference/MultiDomainRMSD.o ../reference/MultiReferenceBase.o ../reference/NormalizedEuclideanDistance.o ../reference/OptimalRMSD.o ../reference/PointWiseMapping.o ../reference/RMSDBase.o ../reference/ReferenceArguments.o ../reference/ReferenceAtoms.o ../reference/ReferenceConfiguration.o ../reference/ReferenceValuePack.o ../reference/SimpleRMSD.o ../reference/SingleDomainRMSD.o ../secondarystructure/AlphaRMSD.o ../secondarystructure/AntibetaRMSD.o ../secondarystructure/ParabetaRMSD.o ../secondarystructure/SecondaryStructureRMSD.o ../setup/Load.o ../setup/MolInfo.o ../setup/Restart.o ../setup/Units.o ../tools/Angle.o ../tools/BiasRepresentation.o ../tools/Citations.o ../tools/Communicator.o ../tools/CubicInterpolation.o ../tools/DLLoader.o ../tools/Exception.o ../tools/FileBase.o ../tools/Grid.o ../tools/HistogramBead.o ../tools/IFile.o ../tools/Kearsley.o ../tools/KernelFunctions.o ../tools/Keywords.o ../tools/LatticeReduction.o ../tools/LinkCells.o ../tools/Log.o ../tools/MolDataClass.o ../tools/MultiValue.o ../tools/NeighborList.o ../tools/OFile.o ../tools/OpenMP.o ../tools/OptimalAlignment.o ../tools/PDB.o ../tools/Pbc.o ../tools/RMSD.o ../tools/Random.o ../tools/Stopwatch.o ../tools/SwitchingFunction.o ../tools/Tensor.o ../tools/Tools.o ../tools/Torsion.o ../tools/Units.o ../tools/Vector.o ../vatom/COM.o ../vatom/Center.o ../vatom/Ghost.o ../vesselbase/ActionWithInputVessel.o ../vesselbase/ActionWithVessel.o ../vesselbase/AltMin.o ../vesselbase/Between.o ../vesselbase/BridgeVessel.o ../vesselbase/FunctionVessel.o ../vesselbase/Highest.o ../vesselbase/Histogram.o ../vesselbase/LessThan.o ../vesselbase/Lowest.o ../vesselbase/Max.o ../vesselbase/Mean.o ../vesselbase/Min.o ../vesselbase/Moments.o ../vesselbase/MoreThan.o ../vesselbase/OrderingVessel.o ../vesselbase/ShortcutVessel.o ../vesselbase/StoreDataVessel.o ../vesselbase/Sum.o ../vesselbase/ValueVessel.o ../vesselbase/Vessel.o ../vesselbase/VesselRegister.o ../config/Config.o -lz -lmatheval -ldl -lopenblas -Wl,--as-needed -rdynamic -fopenmp mpic++ -shared -o libplumed.so ../analysis/Analysis.o ../analysis/AnalysisWithLandmarks.o ../analysis/ClassicalMultiDimensionalScaling.o ../analysis/ClassicalScaling.o ../analysis/Commit.o ../analysis/Histogram.o ../analysis/LandmarkRegister.o ../analysis/LandmarkSelectionBase.o ../analysis/SelectAllFrames.o ../bias/ABMD.o ../bias/Bias.o ../bias/BiasValue.o ../bias/ExtendedLagrangian.o ../bias/External.o ../bias/LWalls.o ../bias/MetaD.o ../bias/MovingRestraint.o ../bias/PBMetaD.o ../bias/Restraint.o ../bias/UWalls.o ../blas/blas.o ../cltools/Driver.o ../cltools/DriverDouble.o ../cltools/DriverFloat.o ../cltools/GenTemplate.o ../cltools/Info.o ../cltools/Manual.o ../cltools/SimpleMD.o ../cltools/SumHills.o ../cltools/kT.o ../colvar/Angle.o ../colvar/CH3Shifts.o ../colvar/CS2Backbone.o ../colvar/Cell.o ../colvar/Constant.o ../colvar/ContactMap.o ../colvar/Coordination.o ../colvar/CoordinationBase.o ../colvar/DHEnergy.o ../colvar/DRMSD.o ../colvar/Dipole.o ../colvar/Distance.o ../colvar/Energy.o ../colvar/Fake.o ../colvar/Gyration.o ../colvar/MultiRMSD.o ../colvar/NOE.o ../colvar/PCARMSD.o ../colvar/PathMSD.o ../colvar/PathMSDBase.o ../colvar/Position.o ../colvar/PropertyMap.o ../colvar/Puckering.o ../colvar/RDC.o ../colvar/RMSD.o ../colvar/Template.o ../colvar/Torsion.o ../colvar/Volume.o ../core/Action.o ../core/ActionAtomistic.o ../core/ActionPilot.o ../core/ActionRegister.o ../core/ActionSet.o ../core/ActionSetup.o ../core/ActionWithArguments.o ../core/ActionWithValue.o ../core/ActionWithVirtualAtom.o ../core/Atoms.o ../core/CLTool.o ../core/CLToolMain.o ../core/CLToolRegister.o ../core/Colvar.o ../core/ExchangePatterns.o ../core/FlexibleBin.o ../core/GREX.o ../core/MDAtoms.o ../core/PlumedMain.o ../core/PlumedMainInitializer.o ../core/SetupMolInfo.o ../core/TargetDist.o ../core/Value.o ../function/Combine.o ../function/Ensemble.o ../function/FuncPathMSD.o ../function/FuncSumHills.o ../function/Function.o ../function/Matheval.o ../function/Piecewise.o ../function/Sort.o ../function/Target.o ../generic/Debug.o ../generic/DumpAtoms.o ../generic/DumpDerivatives.o ../generic/DumpForces.o ../generic/DumpMassCharge.o ../generic/DumpProjections.o ../generic/EffectiveEnergyDrift.o ../generic/FitToTemplate.o ../generic/Flush.o ../generic/Group.o ../generic/Include.o ../generic/Print.o ../generic/RandomExchanges.o ../generic/Read.o ../generic/Time.o ../generic/WholeMolecules.o ../generic/WrapAround.o ../lapack/lapack.o ../mapping/Mapping.o ../mapping/PCAVars.o ../mapping/Path.o ../mapping/PathBase.o ../mapping/PropertyMap.o ../mapping/SpathVessel.o ../mapping/ZpathVessel.o ../molfile/crdplugin.o ../molfile/dcdplugin.o ../molfile/gromacsplugin.o ../molfile/pdbplugin.o ../multicolvar/ActionVolume.o ../multicolvar/AdjacencyMatrixAction.o ../multicolvar/AdjacencyMatrixVessel.o ../multicolvar/AlphaBeta.o ../multicolvar/Angles.o ../multicolvar/AtomValuePack.o ../multicolvar/Bridge.o ../multicolvar/BridgedMultiColvarFunction.o ../multicolvar/CatomPack.o ../multicolvar/CoordinationNumbers.o ../multicolvar/Density.o ../multicolvar/DihedralCorrelation.o ../multicolvar/Distances.o ../multicolvar/DumpMultiColvar.o ../multicolvar/FilterBetween.o ../multicolvar/FilterLessThan.o ../multicolvar/FilterMoreThan.o ../multicolvar/InPlaneDistances.o ../multicolvar/LocalAverage.o ../multicolvar/MultiColvar.o ../multicolvar/MultiColvarBase.o ../multicolvar/MultiColvarDensity.o ../multicolvar/MultiColvarFilter.o ../multicolvar/MultiColvarFunction.o ../multicolvar/NumberOfLinks.o ../multicolvar/Sprint.o ../multicolvar/Torsions.o ../multicolvar/VolumeAround.o ../multicolvar/VolumeCavity.o ../multicolvar/VolumeGradientBase.o ../multicolvar/VolumeInCylinder.o ../multicolvar/VolumeTetrapore.o ../multicolvar/XDistances.o ../multicolvar/XYDistances.o ../reference/ArgumentOnlyDistance.o ../reference/DRMSD.o ../reference/Direction.o ../reference/DotProductDistance.o ../reference/EuclideanDistance.o ../reference/MahalanobisDistance.o ../reference/MetricRegister.o ../reference/MultiDomainRMSD.o ../reference/MultiReferenceBase.o ../reference/NormalizedEuclideanDistance.o ../reference/OptimalRMSD.o ../reference/PointWiseMapping.o ../reference/RMSDBase.o ../reference/ReferenceArguments.o ../reference/ReferenceAtoms.o ../reference/ReferenceConfiguration.o ../reference/ReferenceValuePack.o ../reference/SimpleRMSD.o ../reference/SingleDomainRMSD.o ../secondarystructure/AlphaRMSD.o ../secondarystructure/AntibetaRMSD.o ../secondarystructure/ParabetaRMSD.o ../secondarystructure/SecondaryStructureRMSD.o ../setup/Load.o ../setup/MolInfo.o ../setup/Restart.o ../setup/Units.o ../tools/Angle.o ../tools/BiasRepresentation.o ../tools/Citations.o ../tools/Communicator.o ../tools/CubicInterpolation.o ../tools/DLLoader.o ../tools/Exception.o ../tools/FileBase.o ../tools/Grid.o ../tools/HistogramBead.o ../tools/IFile.o ../tools/Kearsley.o ../tools/KernelFunctions.o ../tools/Keywords.o ../tools/LatticeReduction.o ../tools/LinkCells.o ../tools/Log.o ../tools/MolDataClass.o ../tools/MultiValue.o ../tools/NeighborList.o ../tools/OFile.o ../tools/OpenMP.o ../tools/OptimalAlignment.o ../tools/PDB.o ../tools/Pbc.o ../tools/RMSD.o ../tools/Random.o ../tools/Stopwatch.o ../tools/SwitchingFunction.o ../tools/Tensor.o ../tools/Tools.o ../tools/Torsion.o ../tools/Units.o ../tools/Vector.o ../vatom/COM.o ../vatom/Center.o ../vatom/Ghost.o ../vesselbase/ActionWithInputVessel.o ../vesselbase/ActionWithVessel.o ../vesselbase/AltMin.o ../vesselbase/Between.o ../vesselbase/BridgeVessel.o ../vesselbase/FunctionVessel.o ../vesselbase/Highest.o ../vesselbase/Histogram.o ../vesselbase/LessThan.o ../vesselbase/Lowest.o ../vesselbase/Max.o ../vesselbase/Mean.o ../vesselbase/Min.o ../vesselbase/Moments.o ../vesselbase/MoreThan.o ../vesselbase/OrderingVessel.o ../vesselbase/ShortcutVessel.o ../vesselbase/StoreDataVessel.o ../vesselbase/Sum.o ../vesselbase/ValueVessel.o ../vesselbase/Vessel.o ../vesselbase/VesselRegister.o ../config/Config.o ../wrapper/PlumedStatic.o -lz -lmatheval -ldl -lopenblas -Wl,--as-needed -rdynamic -fopenmp mpic++ ../main/main.o ../wrapper/Plumed.o -o plumed-runtime -ldl Building Plumed.inc, runtime-linking version Building Plumed.inc, shared version Building Plumed.inc, static version Building Plumed.cmake Building Plumed.cmake, static version Building Plumed.cmake, runtime-linking version Building Plumed.cmake, shared version mpic++ ../main/main.o "/builddir/build/BUILD/plumed-2.2.1/openmpi/src/lib/libplumed.so" -o plumed-shared -ldl make[4]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/lib' make install-build make[4]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/lib' mkdir -p install/ make PLUMED_INSTALL=Install all make[5]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/lib' make dirslinks make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/lib' *** Updating links to used modules in all directories *** make ../analysis.links ../bias.links ../blas.links ../cltools.links ../colvar.links ../config.links ../core.links ../function.links ../generic.links ../lapack.links ../main.links ../mapping.links ../molfile.links ../multicolvar.links ../reference.links ../secondarystructure.links ../setup.links ../tools.links ../vatom.links ../vesselbase.links ../wrapper.links make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/lib' make -C ../analysis links make -C ../bias links make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/bias' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/openmpi/src/bias make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/analysis' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/openmpi/src/analysis make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/bias' make -C ../blas links make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/blas' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/openmpi/src/blas make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/blas' make -C ../cltools links make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/cltools' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/openmpi/src/cltools make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/analysis' make -C ../colvar links make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/colvar' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/openmpi/src/colvar make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/cltools' make -C ../config links make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/config' Nothing to do in /builddir/build/BUILD/plumed-2.2.1/openmpi/src/config make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/config' make -C ../core links make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/core' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/openmpi/src/core make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/colvar' make -C ../function links make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/function' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/openmpi/src/function make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/core' make -C ../generic links make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/generic' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/openmpi/src/generic make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/function' make -C ../lapack links make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/lapack' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/openmpi/src/lapack make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/lapack' make -C ../main links make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/generic' make -C ../mapping links make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/main' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/openmpi/src/main make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/mapping' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/openmpi/src/mapping make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/main' make -C ../molfile links make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/molfile' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/openmpi/src/molfile make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/molfile' make -C ../multicolvar links make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/multicolvar' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/openmpi/src/multicolvar make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/mapping' make -C ../reference links make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/reference' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/openmpi/src/reference make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/multicolvar' make -C ../secondarystructure links make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/secondarystructure' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/openmpi/src/secondarystructure make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/reference' make -C ../setup links make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/setup' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/openmpi/src/setup make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/secondarystructure' make -C ../tools links make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/tools' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/openmpi/src/tools make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/setup' make -C ../vatom links make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/vatom' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/openmpi/src/vatom make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/tools' make -C ../vesselbase links make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/vesselbase' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/openmpi/src/vesselbase make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/vatom' make -C ../wrapper links make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/wrapper' Nothing to do in /builddir/build/BUILD/plumed-2.2.1/openmpi/src/wrapper make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/wrapper' make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/vesselbase' make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/lib' make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/lib' make dirs make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/lib' *** Compiling all directories *** make ../analysis ../bias ../blas ../cltools ../colvar ../config ../core ../function ../generic ../lapack ../main ../mapping ../molfile ../multicolvar ../reference ../secondarystructure ../setup ../tools ../vatom ../vesselbase ../wrapper make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/lib' make -C ../analysis obj make -C ../bias obj make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/bias' make[8]: Nothing to be done for `obj'. make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/bias' make -C ../blas obj make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/analysis' make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/blas' make[8]: Nothing to be done for `obj'. make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/blas' make -C ../cltools obj make[8]: Nothing to be done for `obj'. make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/analysis' make -C ../colvar obj make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/cltools' make[8]: Nothing to be done for `obj'. make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/cltools' make -C ../config obj make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/config' make PLUMED_FORCE=yes ConfigInstall.cpp Config.cpp version.h make[9]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/config' Updating ConfigInstall.cpp cmp -s ConfigInstall.cpp~ ConfigInstall.cpp || cp ConfigInstall.cpp~ ConfigInstall.cpp make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/colvar' make[8]: Nothing to be done for `obj'. make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/colvar' make -C ../core obj rm ConfigInstall.cpp~ Updating Config.cpp cmp -s Config.cpp~ Config.cpp || cp Config.cpp~ Config.cpp rm Config.cpp~ make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/core' Updating version.h make[8]: Nothing to be done for `obj'. make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/core' make -C ../function obj make[9]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/config' make Config.o ConfigInstall.o compile_options.sh make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/function' make[8]: Nothing to be done for `obj'. make[9]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/config' make[9]: `Config.o' is up to date. make[9]: `ConfigInstall.o' is up to date. make[9]: `compile_options.sh' is up to date. make[9]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/config' make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/config' make -C ../generic obj make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/function' make -C ../lapack obj make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/lapack' make[8]: Nothing to be done for `obj'. make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/lapack' make -C ../main obj make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/main' make[8]: Nothing to be done for `obj'. make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/main' make -C ../mapping obj make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/generic' make[8]: Nothing to be done for `obj'. make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/generic' make -C ../molfile obj make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/molfile' make[8]: Nothing to be done for `obj'. make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/molfile' make -C ../multicolvar obj make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/mapping' make[8]: Nothing to be done for `obj'. make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/mapping' make -C ../reference obj make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/reference' make[8]: Nothing to be done for `obj'. make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/reference' make -C ../secondarystructure obj make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/secondarystructure' make[8]: Nothing to be done for `obj'. make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/secondarystructure' make -C ../setup obj make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/setup' make[8]: Nothing to be done for `obj'. make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/setup' make -C ../tools obj make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/multicolvar' make[8]: Nothing to be done for `obj'. make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/multicolvar' make -C ../vatom obj make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/vatom' make[8]: Nothing to be done for `obj'. make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/vatom' make -C ../vesselbase obj make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/tools' make[8]: Nothing to be done for `obj'. make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/tools' make -C ../wrapper obj make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/wrapper' make[8]: Nothing to be done for `obj'. make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/wrapper' make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/vesselbase' make[8]: Nothing to be done for `obj'. make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/vesselbase' make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/lib' make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/lib' make lib make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/lib' mpic++ ../main/main.o ../analysis/Analysis.o ../analysis/AnalysisWithLandmarks.o ../analysis/ClassicalMultiDimensionalScaling.o ../analysis/ClassicalScaling.o ../analysis/Commit.o ../analysis/Histogram.o ../analysis/LandmarkRegister.o ../analysis/LandmarkSelectionBase.o ../analysis/SelectAllFrames.o ../bias/ABMD.o ../bias/Bias.o ../bias/BiasValue.o ../bias/ExtendedLagrangian.o ../bias/External.o ../bias/LWalls.o ../bias/MetaD.o ../bias/MovingRestraint.o ../bias/PBMetaD.o ../bias/Restraint.o ../bias/UWalls.o ../blas/blas.o ../cltools/Driver.o ../cltools/DriverDouble.o ../cltools/DriverFloat.o ../cltools/GenTemplate.o ../cltools/Info.o ../cltools/Manual.o ../cltools/SimpleMD.o ../cltools/SumHills.o ../cltools/kT.o ../colvar/Angle.o ../colvar/CH3Shifts.o ../colvar/CS2Backbone.o ../colvar/Cell.o ../colvar/Constant.o ../colvar/ContactMap.o ../colvar/Coordination.o ../colvar/CoordinationBase.o ../colvar/DHEnergy.o ../colvar/DRMSD.o ../colvar/Dipole.o ../colvar/Distance.o ../colvar/Energy.o ../colvar/Fake.o ../colvar/Gyration.o ../colvar/MultiRMSD.o ../colvar/NOE.o ../colvar/PCARMSD.o ../colvar/PathMSD.o ../colvar/PathMSDBase.o ../colvar/Position.o ../colvar/PropertyMap.o ../colvar/Puckering.o ../colvar/RDC.o ../colvar/RMSD.o ../colvar/Template.o ../colvar/Torsion.o ../colvar/Volume.o ../core/Action.o ../core/ActionAtomistic.o ../core/ActionPilot.o ../core/ActionRegister.o ../core/ActionSet.o ../core/ActionSetup.o ../core/ActionWithArguments.o ../core/ActionWithValue.o ../core/ActionWithVirtualAtom.o ../core/Atoms.o ../core/CLTool.o ../core/CLToolMain.o ../core/CLToolRegister.o ../core/Colvar.o ../core/ExchangePatterns.o ../core/FlexibleBin.o ../core/GREX.o ../core/MDAtoms.o ../core/PlumedMain.o ../core/PlumedMainInitializer.o ../core/SetupMolInfo.o ../core/TargetDist.o ../core/Value.o ../function/Combine.o ../function/Ensemble.o ../function/FuncPathMSD.o ../function/FuncSumHills.o ../function/Function.o ../function/Matheval.o ../function/Piecewise.o ../function/Sort.o ../function/Target.o ../generic/Debug.o ../generic/DumpAtoms.o ../generic/DumpDerivatives.o ../generic/DumpForces.o ../generic/DumpMassCharge.o ../generic/DumpProjections.o ../generic/EffectiveEnergyDrift.o ../generic/FitToTemplate.o ../generic/Flush.o ../generic/Group.o ../generic/Include.o ../generic/Print.o ../generic/RandomExchanges.o ../generic/Read.o ../generic/Time.o ../generic/WholeMolecules.o ../generic/WrapAround.o ../lapack/lapack.o ../mapping/Mapping.o ../mapping/PCAVars.o ../mapping/Path.o ../mapping/PathBase.o ../mapping/PropertyMap.o ../mapping/SpathVessel.o ../mapping/ZpathVessel.o ../molfile/crdplugin.o ../molfile/dcdplugin.o ../molfile/gromacsplugin.o ../molfile/pdbplugin.o ../multicolvar/ActionVolume.o ../multicolvar/AdjacencyMatrixAction.o ../multicolvar/AdjacencyMatrixVessel.o ../multicolvar/AlphaBeta.o ../multicolvar/Angles.o ../multicolvar/AtomValuePack.o ../multicolvar/Bridge.o ../multicolvar/BridgedMultiColvarFunction.o ../multicolvar/CatomPack.o ../multicolvar/CoordinationNumbers.o ../multicolvar/Density.o ../multicolvar/DihedralCorrelation.o ../multicolvar/Distances.o ../multicolvar/DumpMultiColvar.o ../multicolvar/FilterBetween.o ../multicolvar/FilterLessThan.o ../multicolvar/FilterMoreThan.o ../multicolvar/InPlaneDistances.o ../multicolvar/LocalAverage.o ../multicolvar/MultiColvar.o ../multicolvar/MultiColvarBase.o ../multicolvar/MultiColvarDensity.o ../multicolvar/MultiColvarFilter.o ../multicolvar/MultiColvarFunction.o ../multicolvar/NumberOfLinks.o ../multicolvar/Sprint.o ../multicolvar/Torsions.o ../multicolvar/VolumeAround.o ../multicolvar/VolumeCavity.o ../multicolvar/VolumeGradientBase.o ../multicolvar/VolumeInCylinder.o ../multicolvar/VolumeTetrapore.o ../multicolvar/XDistances.o ../multicolvar/XYDistances.o ../reference/ArgumentOnlyDistance.o ../reference/DRMSD.o ../reference/Direction.o ../reference/DotProductDistance.o ../reference/EuclideanDistance.o ../reference/MahalanobisDistance.o ../reference/MetricRegister.o ../reference/MultiDomainRMSD.o ../reference/MultiReferenceBase.o ../reference/NormalizedEuclideanDistance.o ../reference/OptimalRMSD.o ../reference/PointWiseMapping.o ../reference/RMSDBase.o ../reference/ReferenceArguments.o ../reference/ReferenceAtoms.o ../reference/ReferenceConfiguration.o ../reference/ReferenceValuePack.o ../reference/SimpleRMSD.o ../reference/SingleDomainRMSD.o ../secondarystructure/AlphaRMSD.o ../secondarystructure/AntibetaRMSD.o ../secondarystructure/ParabetaRMSD.o ../secondarystructure/SecondaryStructureRMSD.o ../setup/Load.o ../setup/MolInfo.o ../setup/Restart.o ../setup/Units.o ../tools/Angle.o ../tools/BiasRepresentation.o ../tools/Citations.o ../tools/Communicator.o ../tools/CubicInterpolation.o ../tools/DLLoader.o ../tools/Exception.o ../tools/FileBase.o ../tools/Grid.o ../tools/HistogramBead.o ../tools/IFile.o ../tools/Kearsley.o ../tools/KernelFunctions.o ../tools/Keywords.o ../tools/LatticeReduction.o ../tools/LinkCells.o ../tools/Log.o ../tools/MolDataClass.o ../tools/MultiValue.o ../tools/NeighborList.o ../tools/OFile.o ../tools/OpenMP.o ../tools/OptimalAlignment.o ../tools/PDB.o ../tools/Pbc.o ../tools/RMSD.o ../tools/Random.o ../tools/Stopwatch.o ../tools/SwitchingFunction.o ../tools/Tensor.o ../tools/Tools.o ../tools/Torsion.o ../tools/Units.o ../tools/Vector.o ../vatom/COM.o ../vatom/Center.o ../vatom/Ghost.o ../vesselbase/ActionWithInputVessel.o ../vesselbase/ActionWithVessel.o ../vesselbase/AltMin.o ../vesselbase/Between.o ../vesselbase/BridgeVessel.o ../vesselbase/FunctionVessel.o ../vesselbase/Highest.o ../vesselbase/Histogram.o ../vesselbase/LessThan.o ../vesselbase/Lowest.o ../vesselbase/Max.o ../vesselbase/Mean.o ../vesselbase/Min.o ../vesselbase/Moments.o ../vesselbase/MoreThan.o ../vesselbase/OrderingVessel.o ../vesselbase/ShortcutVessel.o ../vesselbase/StoreDataVessel.o ../vesselbase/Sum.o ../vesselbase/ValueVessel.o ../vesselbase/Vessel.o ../vesselbase/VesselRegister.o ../config/ConfigInstall.o ../wrapper/PlumedStatic.o -o install/plumed -ldl -lz -lmatheval -ldl -lopenblas -Wl,--as-needed -rdynamic -fopenmp Building Plumed.inc chmod a+x install/plumed-mklib chmod a+x install/plumed-newcv chmod a+x install/plumed-patch mkdir -p install cd install && mpic++ -shared -o libplumedKernel.so ../../analysis/Analysis.o ../../analysis/AnalysisWithLandmarks.o ../../analysis/ClassicalMultiDimensionalScaling.o ../../analysis/ClassicalScaling.o ../../analysis/Commit.o ../../analysis/Histogram.o ../../analysis/LandmarkRegister.o ../../analysis/LandmarkSelectionBase.o ../../analysis/SelectAllFrames.o ../../bias/ABMD.o ../../bias/Bias.o ../../bias/BiasValue.o ../../bias/ExtendedLagrangian.o ../../bias/External.o ../../bias/LWalls.o ../../bias/MetaD.o ../../bias/MovingRestraint.o ../../bias/PBMetaD.o ../../bias/Restraint.o ../../bias/UWalls.o ../../blas/blas.o ../../cltools/Driver.o ../../cltools/DriverDouble.o ../../cltools/DriverFloat.o ../../cltools/GenTemplate.o ../../cltools/Info.o ../../cltools/Manual.o ../../cltools/SimpleMD.o ../../cltools/SumHills.o ../../cltools/kT.o ../../colvar/Angle.o ../../colvar/CH3Shifts.o ../../colvar/CS2Backbone.o ../../colvar/Cell.o ../../colvar/Constant.o ../../colvar/ContactMap.o ../../colvar/Coordination.o ../../colvar/CoordinationBase.o ../../colvar/DHEnergy.o ../../colvar/DRMSD.o ../../colvar/Dipole.o ../../colvar/Distance.o ../../colvar/Energy.o ../../colvar/Fake.o ../../colvar/Gyration.o ../../colvar/MultiRMSD.o ../../colvar/NOE.o ../../colvar/PCARMSD.o ../../colvar/PathMSD.o ../../colvar/PathMSDBase.o ../../colvar/Position.o ../../colvar/PropertyMap.o ../../colvar/Puckering.o ../../colvar/RDC.o ../../colvar/RMSD.o ../../colvar/Template.o ../../colvar/Torsion.o ../../colvar/Volume.o ../../core/Action.o ../../core/ActionAtomistic.o ../../core/ActionPilot.o ../../core/ActionRegister.o ../../core/ActionSet.o ../../core/ActionSetup.o ../../core/ActionWithArguments.o ../../core/ActionWithValue.o ../../core/ActionWithVirtualAtom.o ../../core/Atoms.o ../../core/CLTool.o ../../core/CLToolMain.o ../../core/CLToolRegister.o ../../core/Colvar.o ../../core/ExchangePatterns.o ../../core/FlexibleBin.o ../../core/GREX.o ../../core/MDAtoms.o ../../core/PlumedMain.o ../../core/PlumedMainInitializer.o ../../core/SetupMolInfo.o ../../core/TargetDist.o ../../core/Value.o ../../function/Combine.o ../../function/Ensemble.o ../../function/FuncPathMSD.o ../../function/FuncSumHills.o ../../function/Function.o ../../function/Matheval.o ../../function/Piecewise.o ../../function/Sort.o ../../function/Target.o ../../generic/Debug.o ../../generic/DumpAtoms.o ../../generic/DumpDerivatives.o ../../generic/DumpForces.o ../../generic/DumpMassCharge.o ../../generic/DumpProjections.o ../../generic/EffectiveEnergyDrift.o ../../generic/FitToTemplate.o ../../generic/Flush.o ../../generic/Group.o ../../generic/Include.o ../../generic/Print.o ../../generic/RandomExchanges.o ../../generic/Read.o ../../generic/Time.o ../../generic/WholeMolecules.o ../../generic/WrapAround.o ../../lapack/lapack.o ../../mapping/Mapping.o ../../mapping/PCAVars.o ../../mapping/Path.o ../../mapping/PathBase.o ../../mapping/PropertyMap.o ../../mapping/SpathVessel.o ../../mapping/ZpathVessel.o ../../molfile/crdplugin.o ../../molfile/dcdplugin.o ../../molfile/gromacsplugin.o ../../molfile/pdbplugin.o ../../multicolvar/ActionVolume.o ../../multicolvar/AdjacencyMatrixAction.o ../../multicolvar/AdjacencyMatrixVessel.o ../../multicolvar/AlphaBeta.o ../../multicolvar/Angles.o ../../multicolvar/AtomValuePack.o ../../multicolvar/Bridge.o ../../multicolvar/BridgedMultiColvarFunction.o ../../multicolvar/CatomPack.o ../../multicolvar/CoordinationNumbers.o ../../multicolvar/Density.o ../../multicolvar/DihedralCorrelation.o ../../multicolvar/Distances.o ../../multicolvar/DumpMultiColvar.o ../../multicolvar/FilterBetween.o ../../multicolvar/FilterLessThan.o ../../multicolvar/FilterMoreThan.o ../../multicolvar/InPlaneDistances.o ../../multicolvar/LocalAverage.o ../../multicolvar/MultiColvar.o ../../multicolvar/MultiColvarBase.o ../../multicolvar/MultiColvarDensity.o ../../multicolvar/MultiColvarFilter.o ../../multicolvar/MultiColvarFunction.o ../../multicolvar/NumberOfLinks.o ../../multicolvar/Sprint.o ../../multicolvar/Torsions.o ../../multicolvar/VolumeAround.o ../../multicolvar/VolumeCavity.o ../../multicolvar/VolumeGradientBase.o ../../multicolvar/VolumeInCylinder.o ../../multicolvar/VolumeTetrapore.o ../../multicolvar/XDistances.o ../../multicolvar/XYDistances.o ../../reference/ArgumentOnlyDistance.o ../../reference/DRMSD.o ../../reference/Direction.o ../../reference/DotProductDistance.o ../../reference/EuclideanDistance.o ../../reference/MahalanobisDistance.o ../../reference/MetricRegister.o ../../reference/MultiDomainRMSD.o ../../reference/MultiReferenceBase.o ../../reference/NormalizedEuclideanDistance.o ../../reference/OptimalRMSD.o ../../reference/PointWiseMapping.o ../../reference/RMSDBase.o ../../reference/ReferenceArguments.o ../../reference/ReferenceAtoms.o ../../reference/ReferenceConfiguration.o ../../reference/ReferenceValuePack.o ../../reference/SimpleRMSD.o ../../reference/SingleDomainRMSD.o ../../secondarystructure/AlphaRMSD.o ../../secondarystructure/AntibetaRMSD.o ../../secondarystructure/ParabetaRMSD.o ../../secondarystructure/SecondaryStructureRMSD.o ../../setup/Load.o ../../setup/MolInfo.o ../../setup/Restart.o ../../setup/Units.o ../../tools/Angle.o ../../tools/BiasRepresentation.o ../../tools/Citations.o ../../tools/Communicator.o ../../tools/CubicInterpolation.o ../../tools/DLLoader.o ../../tools/Exception.o ../../tools/FileBase.o ../../tools/Grid.o ../../tools/HistogramBead.o ../../tools/IFile.o ../../tools/Kearsley.o ../../tools/KernelFunctions.o ../../tools/Keywords.o ../../tools/LatticeReduction.o ../../tools/LinkCells.o ../../tools/Log.o ../../tools/MolDataClass.o ../../tools/MultiValue.o ../../tools/NeighborList.o ../../tools/OFile.o ../../tools/OpenMP.o ../../tools/OptimalAlignment.o ../../tools/PDB.o ../../tools/Pbc.o ../../tools/RMSD.o ../../tools/Random.o ../../tools/Stopwatch.o ../../tools/SwitchingFunction.o ../../tools/Tensor.o ../../tools/Tools.o ../../tools/Torsion.o ../../tools/Units.o ../../tools/Vector.o ../../vatom/COM.o ../../vatom/Center.o ../../vatom/Ghost.o ../../vesselbase/ActionWithInputVessel.o ../../vesselbase/ActionWithVessel.o ../../vesselbase/AltMin.o ../../vesselbase/Between.o ../../vesselbase/BridgeVessel.o ../../vesselbase/FunctionVessel.o ../../vesselbase/Highest.o ../../vesselbase/Histogram.o ../../vesselbase/LessThan.o ../../vesselbase/Lowest.o ../../vesselbase/Max.o ../../vesselbase/Mean.o ../../vesselbase/Min.o ../../vesselbase/Moments.o ../../vesselbase/MoreThan.o ../../vesselbase/OrderingVessel.o ../../vesselbase/ShortcutVessel.o ../../vesselbase/StoreDataVessel.o ../../vesselbase/Sum.o ../../vesselbase/ValueVessel.o ../../vesselbase/Vessel.o ../../vesselbase/VesselRegister.o ../../config/ConfigInstall.o -lz -lmatheval -ldl -lopenblas -Wl,--as-needed -rdynamic -fopenmp mkdir -p install cd install && mpic++ -shared -o libplumed.so ../../analysis/Analysis.o ../../analysis/AnalysisWithLandmarks.o ../../analysis/ClassicalMultiDimensionalScaling.o ../../analysis/ClassicalScaling.o ../../analysis/Commit.o ../../analysis/Histogram.o ../../analysis/LandmarkRegister.o ../../analysis/LandmarkSelectionBase.o ../../analysis/SelectAllFrames.o ../../bias/ABMD.o ../../bias/Bias.o ../../bias/BiasValue.o ../../bias/ExtendedLagrangian.o ../../bias/External.o ../../bias/LWalls.o ../../bias/MetaD.o ../../bias/MovingRestraint.o ../../bias/PBMetaD.o ../../bias/Restraint.o ../../bias/UWalls.o ../../blas/blas.o ../../cltools/Driver.o ../../cltools/DriverDouble.o ../../cltools/DriverFloat.o ../../cltools/GenTemplate.o ../../cltools/Info.o ../../cltools/Manual.o ../../cltools/SimpleMD.o ../../cltools/SumHills.o ../../cltools/kT.o ../../colvar/Angle.o ../../colvar/CH3Shifts.o ../../colvar/CS2Backbone.o ../../colvar/Cell.o ../../colvar/Constant.o ../../colvar/ContactMap.o ../../colvar/Coordination.o ../../colvar/CoordinationBase.o ../../colvar/DHEnergy.o ../../colvar/DRMSD.o ../../colvar/Dipole.o ../../colvar/Distance.o ../../colvar/Energy.o ../../colvar/Fake.o ../../colvar/Gyration.o ../../colvar/MultiRMSD.o ../../colvar/NOE.o ../../colvar/PCARMSD.o ../../colvar/PathMSD.o ../../colvar/PathMSDBase.o ../../colvar/Position.o ../../colvar/PropertyMap.o ../../colvar/Puckering.o ../../colvar/RDC.o ../../colvar/RMSD.o ../../colvar/Template.o ../../colvar/Torsion.o ../../colvar/Volume.o ../../core/Action.o ../../core/ActionAtomistic.o ../../core/ActionPilot.o ../../core/ActionRegister.o ../../core/ActionSet.o ../../core/ActionSetup.o ../../core/ActionWithArguments.o ../../core/ActionWithValue.o ../../core/ActionWithVirtualAtom.o ../../core/Atoms.o ../../core/CLTool.o ../../core/CLToolMain.o ../../core/CLToolRegister.o ../../core/Colvar.o ../../core/ExchangePatterns.o ../../core/FlexibleBin.o ../../core/GREX.o ../../core/MDAtoms.o ../../core/PlumedMain.o ../../core/PlumedMainInitializer.o ../../core/SetupMolInfo.o ../../core/TargetDist.o ../../core/Value.o ../../function/Combine.o ../../function/Ensemble.o ../../function/FuncPathMSD.o ../../function/FuncSumHills.o ../../function/Function.o ../../function/Matheval.o ../../function/Piecewise.o ../../function/Sort.o ../../function/Target.o ../../generic/Debug.o ../../generic/DumpAtoms.o ../../generic/DumpDerivatives.o ../../generic/DumpForces.o ../../generic/DumpMassCharge.o ../../generic/DumpProjections.o ../../generic/EffectiveEnergyDrift.o ../../generic/FitToTemplate.o ../../generic/Flush.o ../../generic/Group.o ../../generic/Include.o ../../generic/Print.o ../../generic/RandomExchanges.o ../../generic/Read.o ../../generic/Time.o ../../generic/WholeMolecules.o ../../generic/WrapAround.o ../../lapack/lapack.o ../../mapping/Mapping.o ../../mapping/PCAVars.o ../../mapping/Path.o ../../mapping/PathBase.o ../../mapping/PropertyMap.o ../../mapping/SpathVessel.o ../../mapping/ZpathVessel.o ../../molfile/crdplugin.o ../../molfile/dcdplugin.o ../../molfile/gromacsplugin.o ../../molfile/pdbplugin.o ../../multicolvar/ActionVolume.o ../../multicolvar/AdjacencyMatrixAction.o ../../multicolvar/AdjacencyMatrixVessel.o ../../multicolvar/AlphaBeta.o ../../multicolvar/Angles.o ../../multicolvar/AtomValuePack.o ../../multicolvar/Bridge.o ../../multicolvar/BridgedMultiColvarFunction.o ../../multicolvar/CatomPack.o ../../multicolvar/CoordinationNumbers.o ../../multicolvar/Density.o ../../multicolvar/DihedralCorrelation.o ../../multicolvar/Distances.o ../../multicolvar/DumpMultiColvar.o ../../multicolvar/FilterBetween.o ../../multicolvar/FilterLessThan.o ../../multicolvar/FilterMoreThan.o ../../multicolvar/InPlaneDistances.o ../../multicolvar/LocalAverage.o ../../multicolvar/MultiColvar.o ../../multicolvar/MultiColvarBase.o ../../multicolvar/MultiColvarDensity.o ../../multicolvar/MultiColvarFilter.o ../../multicolvar/MultiColvarFunction.o ../../multicolvar/NumberOfLinks.o ../../multicolvar/Sprint.o ../../multicolvar/Torsions.o ../../multicolvar/VolumeAround.o ../../multicolvar/VolumeCavity.o ../../multicolvar/VolumeGradientBase.o ../../multicolvar/VolumeInCylinder.o ../../multicolvar/VolumeTetrapore.o ../../multicolvar/XDistances.o ../../multicolvar/XYDistances.o ../../reference/ArgumentOnlyDistance.o ../../reference/DRMSD.o ../../reference/Direction.o ../../reference/DotProductDistance.o ../../reference/EuclideanDistance.o ../../reference/MahalanobisDistance.o ../../reference/MetricRegister.o ../../reference/MultiDomainRMSD.o ../../reference/MultiReferenceBase.o ../../reference/NormalizedEuclideanDistance.o ../../reference/OptimalRMSD.o ../../reference/PointWiseMapping.o ../../reference/RMSDBase.o ../../reference/ReferenceArguments.o ../../reference/ReferenceAtoms.o ../../reference/ReferenceConfiguration.o ../../reference/ReferenceValuePack.o ../../reference/SimpleRMSD.o ../../reference/SingleDomainRMSD.o ../../secondarystructure/AlphaRMSD.o ../../secondarystructure/AntibetaRMSD.o ../../secondarystructure/ParabetaRMSD.o ../../secondarystructure/SecondaryStructureRMSD.o ../../setup/Load.o ../../setup/MolInfo.o ../../setup/Restart.o ../../setup/Units.o ../../tools/Angle.o ../../tools/BiasRepresentation.o ../../tools/Citations.o ../../tools/Communicator.o ../../tools/CubicInterpolation.o ../../tools/DLLoader.o ../../tools/Exception.o ../../tools/FileBase.o ../../tools/Grid.o ../../tools/HistogramBead.o ../../tools/IFile.o ../../tools/Kearsley.o ../../tools/KernelFunctions.o ../../tools/Keywords.o ../../tools/LatticeReduction.o ../../tools/LinkCells.o ../../tools/Log.o ../../tools/MolDataClass.o ../../tools/MultiValue.o ../../tools/NeighborList.o ../../tools/OFile.o ../../tools/OpenMP.o ../../tools/OptimalAlignment.o ../../tools/PDB.o ../../tools/Pbc.o ../../tools/RMSD.o ../../tools/Random.o ../../tools/Stopwatch.o ../../tools/SwitchingFunction.o ../../tools/Tensor.o ../../tools/Tools.o ../../tools/Torsion.o ../../tools/Units.o ../../tools/Vector.o ../../vatom/COM.o ../../vatom/Center.o ../../vatom/Ghost.o ../../vesselbase/ActionWithInputVessel.o ../../vesselbase/ActionWithVessel.o ../../vesselbase/AltMin.o ../../vesselbase/Between.o ../../vesselbase/BridgeVessel.o ../../vesselbase/FunctionVessel.o ../../vesselbase/Highest.o ../../vesselbase/Histogram.o ../../vesselbase/LessThan.o ../../vesselbase/Lowest.o ../../vesselbase/Max.o ../../vesselbase/Mean.o ../../vesselbase/Min.o ../../vesselbase/Moments.o ../../vesselbase/MoreThan.o ../../vesselbase/OrderingVessel.o ../../vesselbase/ShortcutVessel.o ../../vesselbase/StoreDataVessel.o ../../vesselbase/Sum.o ../../vesselbase/ValueVessel.o ../../vesselbase/Vessel.o ../../vesselbase/VesselRegister.o ../../config/ConfigInstall.o ../../wrapper/PlumedStatic.o -lz -lmatheval -ldl -lopenblas -Wl,--as-needed -rdynamic -fopenmp mpic++ ../main/main.o ../wrapper/Plumed.o -o install/plumed-runtime -ldl Building Plumed.inc, runtime-linking version Building Plumed.inc, shared version Building Plumed.inc, static version Building Plumed.cmake Building Plumed.cmake, static version Building Plumed.cmake, runtime-linking version Building Plumed.cmake, shared version mpic++ ../main/main.o "/builddir/build/BUILD/plumed-2.2.1/openmpi/src/lib/install/libplumed.so" -o install/plumed-shared -ldl make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/lib' make[5]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/lib' make install/kernel.o make[5]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/lib' ld -r -o install/kernel.o ../analysis/Analysis.o ../analysis/AnalysisWithLandmarks.o ../analysis/ClassicalMultiDimensionalScaling.o ../analysis/ClassicalScaling.o ../analysis/Commit.o ../analysis/Histogram.o ../analysis/LandmarkRegister.o ../analysis/LandmarkSelectionBase.o ../analysis/SelectAllFrames.o ../bias/ABMD.o ../bias/Bias.o ../bias/BiasValue.o ../bias/ExtendedLagrangian.o ../bias/External.o ../bias/LWalls.o ../bias/MetaD.o ../bias/MovingRestraint.o ../bias/PBMetaD.o ../bias/Restraint.o ../bias/UWalls.o ../blas/blas.o ../cltools/Driver.o ../cltools/DriverDouble.o ../cltools/DriverFloat.o ../cltools/GenTemplate.o ../cltools/Info.o ../cltools/Manual.o ../cltools/SimpleMD.o ../cltools/SumHills.o ../cltools/kT.o ../colvar/Angle.o ../colvar/CH3Shifts.o ../colvar/CS2Backbone.o ../colvar/Cell.o ../colvar/Constant.o ../colvar/ContactMap.o ../colvar/Coordination.o ../colvar/CoordinationBase.o ../colvar/DHEnergy.o ../colvar/DRMSD.o ../colvar/Dipole.o ../colvar/Distance.o ../colvar/Energy.o ../colvar/Fake.o ../colvar/Gyration.o ../colvar/MultiRMSD.o ../colvar/NOE.o ../colvar/PCARMSD.o ../colvar/PathMSD.o ../colvar/PathMSDBase.o ../colvar/Position.o ../colvar/PropertyMap.o ../colvar/Puckering.o ../colvar/RDC.o ../colvar/RMSD.o ../colvar/Template.o ../colvar/Torsion.o ../colvar/Volume.o ../core/Action.o ../core/ActionAtomistic.o ../core/ActionPilot.o ../core/ActionRegister.o ../core/ActionSet.o ../core/ActionSetup.o ../core/ActionWithArguments.o ../core/ActionWithValue.o ../core/ActionWithVirtualAtom.o ../core/Atoms.o ../core/CLTool.o ../core/CLToolMain.o ../core/CLToolRegister.o ../core/Colvar.o ../core/ExchangePatterns.o ../core/FlexibleBin.o ../core/GREX.o ../core/MDAtoms.o ../core/PlumedMain.o ../core/PlumedMainInitializer.o ../core/SetupMolInfo.o ../core/TargetDist.o ../core/Value.o ../function/Combine.o ../function/Ensemble.o ../function/FuncPathMSD.o ../function/FuncSumHills.o ../function/Function.o ../function/Matheval.o ../function/Piecewise.o ../function/Sort.o ../function/Target.o ../generic/Debug.o ../generic/DumpAtoms.o ../generic/DumpDerivatives.o ../generic/DumpForces.o ../generic/DumpMassCharge.o ../generic/DumpProjections.o ../generic/EffectiveEnergyDrift.o ../generic/FitToTemplate.o ../generic/Flush.o ../generic/Group.o ../generic/Include.o ../generic/Print.o ../generic/RandomExchanges.o ../generic/Read.o ../generic/Time.o ../generic/WholeMolecules.o ../generic/WrapAround.o ../lapack/lapack.o ../mapping/Mapping.o ../mapping/PCAVars.o ../mapping/Path.o ../mapping/PathBase.o ../mapping/PropertyMap.o ../mapping/SpathVessel.o ../mapping/ZpathVessel.o ../molfile/crdplugin.o ../molfile/dcdplugin.o ../molfile/gromacsplugin.o ../molfile/pdbplugin.o ../multicolvar/ActionVolume.o ../multicolvar/AdjacencyMatrixAction.o ../multicolvar/AdjacencyMatrixVessel.o ../multicolvar/AlphaBeta.o ../multicolvar/Angles.o ../multicolvar/AtomValuePack.o ../multicolvar/Bridge.o ../multicolvar/BridgedMultiColvarFunction.o ../multicolvar/CatomPack.o ../multicolvar/CoordinationNumbers.o ../multicolvar/Density.o ../multicolvar/DihedralCorrelation.o ../multicolvar/Distances.o ../multicolvar/DumpMultiColvar.o ../multicolvar/FilterBetween.o ../multicolvar/FilterLessThan.o ../multicolvar/FilterMoreThan.o ../multicolvar/InPlaneDistances.o ../multicolvar/LocalAverage.o ../multicolvar/MultiColvar.o ../multicolvar/MultiColvarBase.o ../multicolvar/MultiColvarDensity.o ../multicolvar/MultiColvarFilter.o ../multicolvar/MultiColvarFunction.o ../multicolvar/NumberOfLinks.o ../multicolvar/Sprint.o ../multicolvar/Torsions.o ../multicolvar/VolumeAround.o ../multicolvar/VolumeCavity.o ../multicolvar/VolumeGradientBase.o ../multicolvar/VolumeInCylinder.o ../multicolvar/VolumeTetrapore.o ../multicolvar/XDistances.o ../multicolvar/XYDistances.o ../reference/ArgumentOnlyDistance.o ../reference/DRMSD.o ../reference/Direction.o ../reference/DotProductDistance.o ../reference/EuclideanDistance.o ../reference/MahalanobisDistance.o ../reference/MetricRegister.o ../reference/MultiDomainRMSD.o ../reference/MultiReferenceBase.o ../reference/NormalizedEuclideanDistance.o ../reference/OptimalRMSD.o ../reference/PointWiseMapping.o ../reference/RMSDBase.o ../reference/ReferenceArguments.o ../reference/ReferenceAtoms.o ../reference/ReferenceConfiguration.o ../reference/ReferenceValuePack.o ../reference/SimpleRMSD.o ../reference/SingleDomainRMSD.o ../secondarystructure/AlphaRMSD.o ../secondarystructure/AntibetaRMSD.o ../secondarystructure/ParabetaRMSD.o ../secondarystructure/SecondaryStructureRMSD.o ../setup/Load.o ../setup/MolInfo.o ../setup/Restart.o ../setup/Units.o ../tools/Angle.o ../tools/BiasRepresentation.o ../tools/Citations.o ../tools/Communicator.o ../tools/CubicInterpolation.o ../tools/DLLoader.o ../tools/Exception.o ../tools/FileBase.o ../tools/Grid.o ../tools/HistogramBead.o ../tools/IFile.o ../tools/Kearsley.o ../tools/KernelFunctions.o ../tools/Keywords.o ../tools/LatticeReduction.o ../tools/LinkCells.o ../tools/Log.o ../tools/MolDataClass.o ../tools/MultiValue.o ../tools/NeighborList.o ../tools/OFile.o ../tools/OpenMP.o ../tools/OptimalAlignment.o ../tools/PDB.o ../tools/Pbc.o ../tools/RMSD.o ../tools/Random.o ../tools/Stopwatch.o ../tools/SwitchingFunction.o ../tools/Tensor.o ../tools/Tools.o ../tools/Torsion.o ../tools/Units.o ../tools/Vector.o ../vatom/COM.o ../vatom/Center.o ../vatom/Ghost.o ../vesselbase/ActionWithInputVessel.o ../vesselbase/ActionWithVessel.o ../vesselbase/AltMin.o ../vesselbase/Between.o ../vesselbase/BridgeVessel.o ../vesselbase/FunctionVessel.o ../vesselbase/Highest.o ../vesselbase/Histogram.o ../vesselbase/LessThan.o ../vesselbase/Lowest.o ../vesselbase/Max.o ../vesselbase/Mean.o ../vesselbase/Min.o ../vesselbase/Moments.o ../vesselbase/MoreThan.o ../vesselbase/OrderingVessel.o ../vesselbase/ShortcutVessel.o ../vesselbase/StoreDataVessel.o ../vesselbase/Sum.o ../vesselbase/ValueVessel.o ../vesselbase/Vessel.o ../vesselbase/VesselRegister.o ../config/Config.o make[5]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/lib' make[4]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/lib' make[3]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/lib' make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src' make[1]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi' + . /etc/profile.d/modules.sh ++++ /bin/ps -p 5899 -ocomm= +++ /bin/basename sh ++ shell=sh ++ '[' -f /usr/share/Modules/init/sh ']' ++ . /usr/share/Modules/init/sh +++ MODULESHOME=/usr/share/Modules +++ export MODULESHOME +++ '[' mpi/openmpi-x86_64 = '' ']' +++ '[' /usr/share/Modules/modulefiles:/etc/modulefiles = '' ']' + module unload mpi/openmpi-x86_64 ++ /usr/bin/modulecmd sh unload mpi/openmpi-x86_64 + eval MANPATH=/usr/share/man:/usr/local/share/man ';export' 'MANPATH;PATH=/usr/bin:/bin:/usr/sbin:/sbin:/usr/local/sbin:/builddir/.local/bin:/builddir/bin' ';export' 'PATH;unset' 'LD_LIBRARY_PATH;unset' 'LOADEDMODULES;unset' 'MPI_BIN;unset' 'MPI_COMPILER;unset' 'MPI_FORTRAN_MOD_DIR;unset' 'MPI_HOME;unset' 'MPI_INCLUDE;unset' 'MPI_LIB;unset' 'MPI_MAN;unset' 'MPI_PYTHON_SITEARCH;unset' 'MPI_SUFFIX;unset' 'MPI_SYSCONFIG;unset' 'PYTHONPATH;unset' '_LMFILES_;' ++ MANPATH=/usr/share/man:/usr/local/share/man ++ export MANPATH ++ PATH=/usr/bin:/bin:/usr/sbin:/sbin:/usr/local/sbin:/builddir/.local/bin:/builddir/bin ++ export PATH ++ unset LD_LIBRARY_PATH ++ unset LOADEDMODULES ++ unset MPI_BIN ++ unset MPI_COMPILER ++ unset MPI_FORTRAN_MOD_DIR ++ unset MPI_HOME ++ unset MPI_INCLUDE ++ unset MPI_LIB ++ unset MPI_MAN ++ unset MPI_PYTHON_SITEARCH ++ unset MPI_SUFFIX ++ unset MPI_SYSCONFIG ++ unset PYTHONPATH ++ unset _LMFILES_ + popd ~/build/BUILD/plumed-2.2.1 + exit 0 Executing(%install): /bin/sh -e /var/tmp/rpm-tmp.6XO4tG + umask 022 + cd /builddir/build/BUILD + '[' /builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64 '!=' / ']' + rm -rf /builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64 ++ dirname /builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64 + mkdir -p /builddir/build/BUILDROOT + mkdir /builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64 + cd plumed-2.2.1 + make -C serial install DESTDIR=/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64 make: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial' make -C src install make[1]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src' make -C lib install make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/lib' cd ../config ; make make[3]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/config' make PLUMED_FORCE=yes ConfigInstall.cpp Config.cpp version.h make[4]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/config' Updating ConfigInstall.cpp cmp -s ConfigInstall.cpp~ ConfigInstall.cpp || cp ConfigInstall.cpp~ ConfigInstall.cpp rm ConfigInstall.cpp~ Updating Config.cpp cmp -s Config.cpp~ Config.cpp || cp Config.cpp~ Config.cpp rm Config.cpp~ Updating version.h make[4]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/config' make Config.o ConfigInstall.o compile_options.sh make[4]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/config' make[4]: `Config.o' is up to date. make[4]: `ConfigInstall.o' is up to date. make[4]: `compile_options.sh' is up to date. make[4]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/config' make[3]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/config' # make uninstall mkdir -p "/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/bin" mkdir -p "/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/lib64" mkdir -p "/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/include/plumed" mkdir -p "/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/lib64/plumed/obj" mkdir -p "/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/lib64/plumed/src/lib" mkdir -p "/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/lib64/plumed/src/config" mkdir -p "/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/lib64/plumed/src/colvar" make install-build make[3]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/lib' mkdir -p install/ make PLUMED_INSTALL=Install all make[4]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/lib' make dirslinks make[5]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/lib' *** Updating links to used modules in all directories *** make ../analysis.links ../bias.links ../blas.links ../cltools.links ../colvar.links ../config.links ../core.links ../function.links ../generic.links ../lapack.links ../main.links ../mapping.links ../molfile.links ../multicolvar.links ../reference.links ../secondarystructure.links ../setup.links ../tools.links ../vatom.links ../vesselbase.links ../wrapper.links make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/lib' make -C ../analysis links make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/analysis' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/serial/src/analysis make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/analysis' make -C ../bias links make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/bias' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/serial/src/bias make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/bias' make -C ../blas links make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/blas' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/serial/src/blas make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/blas' make -C ../cltools links make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/cltools' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/serial/src/cltools make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/cltools' make -C ../colvar links make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/colvar' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/serial/src/colvar make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/colvar' make -C ../config links make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/config' Nothing to do in /builddir/build/BUILD/plumed-2.2.1/serial/src/config make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/config' make -C ../core links make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/core' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/serial/src/core make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/core' make -C ../function links make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/function' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/serial/src/function make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/function' make -C ../generic links make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/generic' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/serial/src/generic make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/generic' make -C ../lapack links make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/lapack' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/serial/src/lapack make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/lapack' make -C ../main links make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/main' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/serial/src/main make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/main' make -C ../mapping links make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/mapping' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/serial/src/mapping make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/mapping' make -C ../molfile links make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/molfile' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/serial/src/molfile make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/molfile' make -C ../multicolvar links make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/multicolvar' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/serial/src/multicolvar make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/multicolvar' make -C ../reference links make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/reference' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/serial/src/reference make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/reference' make -C ../secondarystructure links make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/secondarystructure' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/serial/src/secondarystructure make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/secondarystructure' make -C ../setup links make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/setup' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/serial/src/setup make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/setup' make -C ../tools links make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/tools' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/serial/src/tools make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/tools' make -C ../vatom links make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/vatom' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/serial/src/vatom make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/vatom' make -C ../vesselbase links make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/vesselbase' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/serial/src/vesselbase make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/vesselbase' make -C ../wrapper links make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/wrapper' Nothing to do in /builddir/build/BUILD/plumed-2.2.1/serial/src/wrapper make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/wrapper' make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/lib' make[5]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/lib' make dirs make[5]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/lib' *** Compiling all directories *** make ../analysis ../bias ../blas ../cltools ../colvar ../config ../core ../function ../generic ../lapack ../main ../mapping ../molfile ../multicolvar ../reference ../secondarystructure ../setup ../tools ../vatom ../vesselbase ../wrapper make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/lib' make -C ../analysis obj make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/analysis' make[7]: Nothing to be done for `obj'. make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/analysis' make -C ../bias obj make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/bias' make[7]: Nothing to be done for `obj'. make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/bias' make -C ../blas obj make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/blas' make[7]: Nothing to be done for `obj'. make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/blas' make -C ../cltools obj make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/cltools' make[7]: Nothing to be done for `obj'. make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/cltools' make -C ../colvar obj make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/colvar' make[7]: Nothing to be done for `obj'. make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/colvar' make -C ../config obj make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/config' make PLUMED_FORCE=yes ConfigInstall.cpp Config.cpp version.h make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/config' Updating ConfigInstall.cpp cmp -s ConfigInstall.cpp~ ConfigInstall.cpp || cp ConfigInstall.cpp~ ConfigInstall.cpp rm ConfigInstall.cpp~ Updating Config.cpp cmp -s Config.cpp~ Config.cpp || cp Config.cpp~ Config.cpp rm Config.cpp~ Updating version.h make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/config' make Config.o ConfigInstall.o compile_options.sh make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/config' make[8]: `Config.o' is up to date. make[8]: `ConfigInstall.o' is up to date. make[8]: `compile_options.sh' is up to date. make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/config' make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/config' make -C ../core obj make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/core' make[7]: Nothing to be done for `obj'. make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/core' make -C ../function obj make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/function' make[7]: Nothing to be done for `obj'. make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/function' make -C ../generic obj make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/generic' make[7]: Nothing to be done for `obj'. make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/generic' make -C ../lapack obj make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/lapack' make[7]: Nothing to be done for `obj'. make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/lapack' make -C ../main obj make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/main' make[7]: Nothing to be done for `obj'. make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/main' make -C ../mapping obj make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/mapping' make[7]: Nothing to be done for `obj'. make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/mapping' make -C ../molfile obj make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/molfile' make[7]: Nothing to be done for `obj'. make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/molfile' make -C ../multicolvar obj make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/multicolvar' make[7]: Nothing to be done for `obj'. make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/multicolvar' make -C ../reference obj make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/reference' make[7]: Nothing to be done for `obj'. make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/reference' make -C ../secondarystructure obj make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/secondarystructure' make[7]: Nothing to be done for `obj'. make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/secondarystructure' make -C ../setup obj make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/setup' make[7]: Nothing to be done for `obj'. make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/setup' make -C ../tools obj make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/tools' make[7]: Nothing to be done for `obj'. make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/tools' make -C ../vatom obj make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/vatom' make[7]: Nothing to be done for `obj'. make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/vatom' make -C ../vesselbase obj make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/vesselbase' make[7]: Nothing to be done for `obj'. make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/vesselbase' make -C ../wrapper obj make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/wrapper' make[7]: Nothing to be done for `obj'. make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/wrapper' make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/lib' make[5]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/lib' make lib make[5]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/lib' Building Plumed.inc Building Plumed.inc, static version Building Plumed.cmake Building Plumed.cmake, static version chmod a+x install/plumed-mklib chmod a+x install/plumed-newcv chmod a+x install/plumed-patch Building Plumed.inc, runtime-linking version Building Plumed.inc, shared version Building Plumed.cmake, runtime-linking version Building Plumed.cmake, shared version make[5]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/lib' make[4]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/lib' make install/kernel.o make[4]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/lib' make[4]: `install/kernel.o' is up to date. make[4]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/lib' make[3]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/lib' make install-html make[3]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/lib' if test -d ../../user-doc/html ; then mkdir -p "/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/share/doc/plumed" && cd ../../ && tar cf - user-doc/html | tar xf - -C "/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/share/doc/plumed/" ; fi if test -d ../../developer-doc/html ; then mkdir -p "/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/share/doc/plumed" && cd ../../ && tar cf - developer-doc/html | tar xf - -C "/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/share/doc/plumed/" ; fi if test -f ../../user-doc/manual.pdf ; then mkdir -p "/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/share/doc/plumed/user-doc" && cp ../../user-doc/manual.pdf "/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/share/doc/plumed/user-doc/" ; fi make[3]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/lib' cd ../../ ; tar cf - patches scripts | tar xf - -C "/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/lib64/plumed/" cp ../colvar/Template.cpp "/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/lib64/plumed/src/colvar/" cp ../config/compile_options.sh "/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/lib64/plumed/src/config/compile_options.sh" cp install/kernel.o "/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/lib64/plumed/obj/kernel.o" cp ../wrapper/PlumedStatic.o "/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/lib64/plumed/obj/PlumedStatic.o" cp ../wrapper/Plumed.o "/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/lib64/plumed/obj/Plumed.o" cd ../../src ; tar cf - */*.h */*/*.h | tar xf - -C "/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/include/plumed/" cp install/plumed "/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/bin/plumed" cp install/plumed-patch "/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/bin/plumed-patch" cp install/Plumed.cmake* "/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/lib64/plumed/src/lib/" cp install/Plumed.inc* "/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/lib64/plumed/src/lib/" for file in mklib newcv patch ; do cp install/plumed-$file "/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/lib64/plumed/plumed-$file" ; done cp install/libplumed.so "/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/lib64/libplumed.so" cp install/libplumedKernel.so "/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/lib64/libplumedKernel.so" cp install/modulefile "/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/lib64/plumed/modulefile" chmod -R go+rX,go-w "/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/lib64/plumed" chmod -R go+rX,go-w "/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/include/plumed" chmod -R go+rX,go-w "/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/bin/plumed" chmod -R go+rX,go-w "/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/bin/plumed-patch" *** PLUMED has been installed *** WARNING: Staged install with DESTDIR = /builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64 Install prefix : /usr Full name : plumed Setup your environment - Ensure this is in your execution path : /usr/bin - Ensure this is in your include path : /usr/include - Ensure this is in your library path : /usr/lib64 For runtime binding: - Set this environment variable : PLUMED_KERNEL=/usr/lib64/libplumedKernel.so To create a tcl module that sets all the variables above, use this one as a starting point: /usr/lib64/plumed/modulefile To uninstall, remove the following files and directories: /usr/lib64/plumed /usr/share/doc/plumed /usr/include/plumed /usr/bin/plumed /usr/bin/plumed-patch /usr/lib64/libplumed.so /usr/lib64/libplumedKernel.so make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src/lib' make[1]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/src' make: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial' + . /etc/profile.d/modules.sh ++++ /bin/ps -p 29105 -ocomm= +++ /bin/basename sh ++ shell=sh ++ '[' -f /usr/share/Modules/init/sh ']' ++ . /usr/share/Modules/init/sh +++ MODULESHOME=/usr/share/Modules +++ export MODULESHOME +++ '[' '' = '' ']' +++ LOADEDMODULES= +++ export LOADEDMODULES +++ '[' /usr/share/Modules/modulefiles:/etc/modulefiles = '' ']' + module load mpi/openmpi-x86_64 ++ /usr/bin/modulecmd sh load mpi/openmpi-x86_64 + eval LD_LIBRARY_PATH=/usr/lib64/openmpi/lib ';export' 'LD_LIBRARY_PATH;LOADEDMODULES=mpi/openmpi-x86_64' ';export' 'LOADEDMODULES;MANPATH=/usr/share/man/openmpi-x86_64:/usr/share/man:/usr/local/share/man' ';export' 'MANPATH;MPI_BIN=/usr/lib64/openmpi/bin' ';export' 'MPI_BIN;MPI_COMPILER=openmpi-x86_64' ';export' 'MPI_COMPILER;MPI_FORTRAN_MOD_DIR=/usr/lib64/gfortran/modules/openmpi-x86_64' ';export' 'MPI_FORTRAN_MOD_DIR;MPI_HOME=/usr/lib64/openmpi' ';export' 'MPI_HOME;MPI_INCLUDE=/usr/include/openmpi-x86_64' ';export' 'MPI_INCLUDE;MPI_LIB=/usr/lib64/openmpi/lib' ';export' 'MPI_LIB;MPI_MAN=/usr/share/man/openmpi-x86_64' ';export' 'MPI_MAN;MPI_PYTHON_SITEARCH=/usr/lib64/python2.7/site-packages/openmpi' ';export' 'MPI_PYTHON_SITEARCH;MPI_SUFFIX=_openmpi' ';export' 'MPI_SUFFIX;MPI_SYSCONFIG=/etc/openmpi-x86_64' ';export' 'MPI_SYSCONFIG;PATH=/usr/lib64/openmpi/bin:/usr/bin:/bin:/usr/sbin:/sbin:/usr/local/sbin:/builddir/.local/bin:/builddir/bin' ';export' 'PATH;PYTHONPATH=/usr/lib64/python2.7/site-packages/openmpi' ';export' 'PYTHONPATH;_LMFILES_=/etc/modulefiles/mpi/openmpi-x86_64' ';export' '_LMFILES_;' ++ LD_LIBRARY_PATH=/usr/lib64/openmpi/lib ++ export LD_LIBRARY_PATH ++ LOADEDMODULES=mpi/openmpi-x86_64 ++ export LOADEDMODULES ++ MANPATH=/usr/share/man/openmpi-x86_64:/usr/share/man:/usr/local/share/man ++ export MANPATH ++ MPI_BIN=/usr/lib64/openmpi/bin ++ export MPI_BIN ++ MPI_COMPILER=openmpi-x86_64 ++ export MPI_COMPILER ++ MPI_FORTRAN_MOD_DIR=/usr/lib64/gfortran/modules/openmpi-x86_64 ++ export MPI_FORTRAN_MOD_DIR ++ MPI_HOME=/usr/lib64/openmpi ++ export MPI_HOME ++ MPI_INCLUDE=/usr/include/openmpi-x86_64 ++ export MPI_INCLUDE ++ MPI_LIB=/usr/lib64/openmpi/lib ++ export MPI_LIB ++ MPI_MAN=/usr/share/man/openmpi-x86_64 ++ export MPI_MAN ++ MPI_PYTHON_SITEARCH=/usr/lib64/python2.7/site-packages/openmpi ++ export MPI_PYTHON_SITEARCH ++ MPI_SUFFIX=_openmpi ++ export MPI_SUFFIX ++ MPI_SYSCONFIG=/etc/openmpi-x86_64 ++ export MPI_SYSCONFIG ++ PATH=/usr/lib64/openmpi/bin:/usr/bin:/bin:/usr/sbin:/sbin:/usr/local/sbin:/builddir/.local/bin:/builddir/bin ++ export PATH ++ PYTHONPATH=/usr/lib64/python2.7/site-packages/openmpi ++ export PYTHONPATH ++ _LMFILES_=/etc/modulefiles/mpi/openmpi-x86_64 ++ export _LMFILES_ + export 'CFLAGS= -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic' + CFLAGS=' -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic' + make -C openmpi install DESTDIR=/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64 make: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi' make -C src install make[1]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src' make -C lib install make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/lib' cd ../config ; make make[3]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/config' make PLUMED_FORCE=yes ConfigInstall.cpp Config.cpp version.h make[4]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/config' Updating ConfigInstall.cpp cmp -s ConfigInstall.cpp~ ConfigInstall.cpp || cp ConfigInstall.cpp~ ConfigInstall.cpp rm ConfigInstall.cpp~ Updating Config.cpp cmp -s Config.cpp~ Config.cpp || cp Config.cpp~ Config.cpp rm Config.cpp~ Updating version.h make[4]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/config' make Config.o ConfigInstall.o compile_options.sh make[4]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/config' make[4]: `Config.o' is up to date. make[4]: `ConfigInstall.o' is up to date. make[4]: `compile_options.sh' is up to date. make[4]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/config' make[3]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/config' # make uninstall mkdir -p "/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/lib64/openmpi/bin" mkdir -p "/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/lib64/openmpi/lib" mkdir -p "/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/include/openmpi-x86_64/plumed" mkdir -p "/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/lib64/openmpi/lib/plumed/obj" mkdir -p "/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/lib64/openmpi/lib/plumed/src/lib" mkdir -p "/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/lib64/openmpi/lib/plumed/src/config" mkdir -p "/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/lib64/openmpi/lib/plumed/src/colvar" make install-build make[3]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/lib' mkdir -p install/ make PLUMED_INSTALL=Install all make[4]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/lib' make dirslinks make[5]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/lib' *** Updating links to used modules in all directories *** make ../analysis.links ../bias.links ../blas.links ../cltools.links ../colvar.links ../config.links ../core.links ../function.links ../generic.links ../lapack.links ../main.links ../mapping.links ../molfile.links ../multicolvar.links ../reference.links ../secondarystructure.links ../setup.links ../tools.links ../vatom.links ../vesselbase.links ../wrapper.links make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/lib' make -C ../analysis links make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/analysis' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/openmpi/src/analysis make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/analysis' make -C ../bias links make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/bias' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/openmpi/src/bias make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/bias' make -C ../blas links make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/blas' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/openmpi/src/blas make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/blas' make -C ../cltools links make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/cltools' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/openmpi/src/cltools make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/cltools' make -C ../colvar links make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/colvar' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/openmpi/src/colvar make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/colvar' make -C ../config links make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/config' Nothing to do in /builddir/build/BUILD/plumed-2.2.1/openmpi/src/config make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/config' make -C ../core links make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/core' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/openmpi/src/core make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/core' make -C ../function links make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/function' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/openmpi/src/function make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/function' make -C ../generic links make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/generic' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/openmpi/src/generic make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/generic' make -C ../lapack links make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/lapack' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/openmpi/src/lapack make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/lapack' make -C ../main links make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/main' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/openmpi/src/main make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/main' make -C ../mapping links make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/mapping' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/openmpi/src/mapping make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/mapping' make -C ../molfile links make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/molfile' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/openmpi/src/molfile make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/molfile' make -C ../multicolvar links make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/multicolvar' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/openmpi/src/multicolvar make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/multicolvar' make -C ../reference links make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/reference' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/openmpi/src/reference make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/reference' make -C ../secondarystructure links make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/secondarystructure' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/openmpi/src/secondarystructure make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/secondarystructure' make -C ../setup links make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/setup' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/openmpi/src/setup make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/setup' make -C ../tools links make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/tools' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/openmpi/src/tools make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/tools' make -C ../vatom links make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/vatom' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/openmpi/src/vatom make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/vatom' make -C ../vesselbase links make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/vesselbase' Verify modules and create links in /builddir/build/BUILD/plumed-2.2.1/openmpi/src/vesselbase make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/vesselbase' make -C ../wrapper links make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/wrapper' Nothing to do in /builddir/build/BUILD/plumed-2.2.1/openmpi/src/wrapper make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/wrapper' make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/lib' make[5]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/lib' make dirs make[5]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/lib' *** Compiling all directories *** make ../analysis ../bias ../blas ../cltools ../colvar ../config ../core ../function ../generic ../lapack ../main ../mapping ../molfile ../multicolvar ../reference ../secondarystructure ../setup ../tools ../vatom ../vesselbase ../wrapper make[6]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/lib' make -C ../analysis obj make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/analysis' make[7]: Nothing to be done for `obj'. make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/analysis' make -C ../bias obj make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/bias' make[7]: Nothing to be done for `obj'. make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/bias' make -C ../blas obj make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/blas' make[7]: Nothing to be done for `obj'. make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/blas' make -C ../cltools obj make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/cltools' make[7]: Nothing to be done for `obj'. make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/cltools' make -C ../colvar obj make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/colvar' make[7]: Nothing to be done for `obj'. make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/colvar' make -C ../config obj make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/config' make PLUMED_FORCE=yes ConfigInstall.cpp Config.cpp version.h make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/config' Updating ConfigInstall.cpp cmp -s ConfigInstall.cpp~ ConfigInstall.cpp || cp ConfigInstall.cpp~ ConfigInstall.cpp rm ConfigInstall.cpp~ Updating Config.cpp cmp -s Config.cpp~ Config.cpp || cp Config.cpp~ Config.cpp rm Config.cpp~ Updating version.h make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/config' make Config.o ConfigInstall.o compile_options.sh make[8]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/config' make[8]: `Config.o' is up to date. make[8]: `ConfigInstall.o' is up to date. make[8]: `compile_options.sh' is up to date. make[8]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/config' make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/config' make -C ../core obj make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/core' make[7]: Nothing to be done for `obj'. make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/core' make -C ../function obj make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/function' make[7]: Nothing to be done for `obj'. make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/function' make -C ../generic obj make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/generic' make[7]: Nothing to be done for `obj'. make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/generic' make -C ../lapack obj make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/lapack' make[7]: Nothing to be done for `obj'. make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/lapack' make -C ../main obj make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/main' make[7]: Nothing to be done for `obj'. make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/main' make -C ../mapping obj make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/mapping' make[7]: Nothing to be done for `obj'. make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/mapping' make -C ../molfile obj make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/molfile' make[7]: Nothing to be done for `obj'. make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/molfile' make -C ../multicolvar obj make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/multicolvar' make[7]: Nothing to be done for `obj'. make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/multicolvar' make -C ../reference obj make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/reference' make[7]: Nothing to be done for `obj'. make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/reference' make -C ../secondarystructure obj make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/secondarystructure' make[7]: Nothing to be done for `obj'. make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/secondarystructure' make -C ../setup obj make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/setup' make[7]: Nothing to be done for `obj'. make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/setup' make -C ../tools obj make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/tools' make[7]: Nothing to be done for `obj'. make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/tools' make -C ../vatom obj make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/vatom' make[7]: Nothing to be done for `obj'. make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/vatom' make -C ../vesselbase obj make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/vesselbase' make[7]: Nothing to be done for `obj'. make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/vesselbase' make -C ../wrapper obj make[7]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/wrapper' make[7]: Nothing to be done for `obj'. make[7]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/wrapper' make[6]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/lib' make[5]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/lib' make lib make[5]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/lib' Building Plumed.inc Building Plumed.inc, static version Building Plumed.cmake Building Plumed.cmake, static version chmod a+x install/plumed-mklib chmod a+x install/plumed-newcv chmod a+x install/plumed-patch Building Plumed.inc, runtime-linking version Building Plumed.inc, shared version Building Plumed.cmake, runtime-linking version Building Plumed.cmake, shared version make[5]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/lib' make[4]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/lib' make install/kernel.o make[4]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/lib' make[4]: `install/kernel.o' is up to date. make[4]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/lib' make[3]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/lib' make install-html make[3]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/lib' if test -d ../../user-doc/html ; then mkdir -p "/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/share/doc/plumed" && cd ../../ && tar cf - user-doc/html | tar xf - -C "/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/share/doc/plumed/" ; fi if test -d ../../developer-doc/html ; then mkdir -p "/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/share/doc/plumed" && cd ../../ && tar cf - developer-doc/html | tar xf - -C "/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/share/doc/plumed/" ; fi if test -f ../../user-doc/manual.pdf ; then mkdir -p "/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/share/doc/plumed/user-doc" && cp ../../user-doc/manual.pdf "/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/share/doc/plumed/user-doc/" ; fi make[3]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/lib' cd ../../ ; tar cf - patches scripts | tar xf - -C "/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/lib64/openmpi/lib/plumed/" cp ../colvar/Template.cpp "/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/lib64/openmpi/lib/plumed/src/colvar/" cp ../config/compile_options.sh "/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/lib64/openmpi/lib/plumed/src/config/compile_options.sh" cp install/kernel.o "/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/lib64/openmpi/lib/plumed/obj/kernel.o" cp ../wrapper/PlumedStatic.o "/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/lib64/openmpi/lib/plumed/obj/PlumedStatic.o" cp ../wrapper/Plumed.o "/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/lib64/openmpi/lib/plumed/obj/Plumed.o" cd ../../src ; tar cf - */*.h */*/*.h | tar xf - -C "/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/include/openmpi-x86_64/plumed/" cp install/plumed "/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/lib64/openmpi/bin/plumed" cp install/plumed-patch "/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/lib64/openmpi/bin/plumed-patch" cp install/Plumed.cmake* "/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/lib64/openmpi/lib/plumed/src/lib/" cp install/Plumed.inc* "/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/lib64/openmpi/lib/plumed/src/lib/" for file in mklib newcv patch ; do cp install/plumed-$file "/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/lib64/openmpi/lib/plumed/plumed-$file" ; done cp install/libplumed.so "/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/lib64/openmpi/lib/libplumed.so" cp install/libplumedKernel.so "/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/lib64/openmpi/lib/libplumedKernel.so" cp install/modulefile "/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/lib64/openmpi/lib/plumed/modulefile" chmod -R go+rX,go-w "/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/lib64/openmpi/lib/plumed" chmod -R go+rX,go-w "/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/include/openmpi-x86_64/plumed" chmod -R go+rX,go-w "/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/lib64/openmpi/bin/plumed" chmod -R go+rX,go-w "/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/lib64/openmpi/bin/plumed-patch" *** PLUMED has been installed *** WARNING: Staged install with DESTDIR = /builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64 Install prefix : /usr Full name : plumed Setup your environment - Ensure this is in your execution path : /usr/lib64/openmpi/bin - Ensure this is in your include path : /usr/include/openmpi-x86_64 - Ensure this is in your library path : /usr/lib64/openmpi/lib For runtime binding: - Set this environment variable : PLUMED_KERNEL=/usr/lib64/openmpi/lib/libplumedKernel.so To create a tcl module that sets all the variables above, use this one as a starting point: /usr/lib64/openmpi/lib/plumed/modulefile To uninstall, remove the following files and directories: /usr/lib64/openmpi/lib/plumed /usr/share/doc/plumed /usr/include/openmpi-x86_64/plumed /usr/lib64/openmpi/bin/plumed /usr/lib64/openmpi/bin/plumed-patch /usr/lib64/openmpi/lib/libplumed.so /usr/lib64/openmpi/lib/libplumedKernel.so make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src/lib' make[1]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi/src' make: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/openmpi' + . /etc/profile.d/modules.sh ++++ /bin/ps -p 29105 -ocomm= +++ /bin/basename sh ++ shell=sh ++ '[' -f /usr/share/Modules/init/sh ']' ++ . /usr/share/Modules/init/sh +++ MODULESHOME=/usr/share/Modules +++ export MODULESHOME +++ '[' mpi/openmpi-x86_64 = '' ']' +++ '[' /usr/share/Modules/modulefiles:/etc/modulefiles = '' ']' + module unload mpi/openmpi-x86_64 ++ /usr/bin/modulecmd sh unload mpi/openmpi-x86_64 + eval MANPATH=/usr/share/man:/usr/local/share/man ';export' 'MANPATH;PATH=/usr/bin:/bin:/usr/sbin:/sbin:/usr/local/sbin:/builddir/.local/bin:/builddir/bin' ';export' 'PATH;unset' 'LD_LIBRARY_PATH;unset' 'LOADEDMODULES;unset' 'MPI_BIN;unset' 'MPI_COMPILER;unset' 'MPI_FORTRAN_MOD_DIR;unset' 'MPI_HOME;unset' 'MPI_INCLUDE;unset' 'MPI_LIB;unset' 'MPI_MAN;unset' 'MPI_PYTHON_SITEARCH;unset' 'MPI_SUFFIX;unset' 'MPI_SYSCONFIG;unset' 'PYTHONPATH;unset' '_LMFILES_;' ++ MANPATH=/usr/share/man:/usr/local/share/man ++ export MANPATH ++ PATH=/usr/bin:/bin:/usr/sbin:/sbin:/usr/local/sbin:/builddir/.local/bin:/builddir/bin ++ export PATH ++ unset LD_LIBRARY_PATH ++ unset LOADEDMODULES ++ unset MPI_BIN ++ unset MPI_COMPILER ++ unset MPI_FORTRAN_MOD_DIR ++ unset MPI_HOME ++ unset MPI_INCLUDE ++ unset MPI_LIB ++ unset MPI_MAN ++ unset MPI_PYTHON_SITEARCH ++ unset MPI_SUFFIX ++ unset MPI_SYSCONFIG ++ unset PYTHONPATH ++ unset _LMFILES_ + /usr/lib/rpm/find-debuginfo.sh --strict-build-id -m --run-dwz --dwz-low-mem-die-limit 10000000 --dwz-max-die-limit 110000000 /builddir/build/BUILD/plumed-2.2.1 extracting debug info from /builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/lib64/openmpi/lib/libplumedKernel.so extracting debug info from /builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/lib64/openmpi/lib/libplumed.so extracting debug info from /builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/lib64/openmpi/bin/plumed extracting debug info from /builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/lib64/libplumedKernel.so extracting debug info from /builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/lib64/libplumed.so extracting debug info from /builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/bin/plumed /usr/lib/rpm/sepdebugcrcfix: Updated 6 CRC32s, 0 CRC32s did match. 9769 blocks + /usr/lib/rpm/check-buildroot + /usr/lib/rpm/redhat/brp-compress + /usr/lib/rpm/redhat/brp-strip-static-archive /usr/bin/strip + /usr/lib/rpm/brp-python-bytecompile /usr/bin/python 1 + /usr/lib/rpm/redhat/brp-python-hardlink + /usr/lib/rpm/redhat/brp-java-repack-jars Executing(%check): /bin/sh -e /var/tmp/rpm-tmp.6kWhvw + umask 022 + cd /builddir/build/BUILD + cd plumed-2.2.1 + pushd serial ~/build/BUILD/plumed-2.2.1/serial ~/build/BUILD/plumed-2.2.1 + make -C regtest make: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest' make -C basic make[1]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic' make -C rt42 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt42' ../../scripts/run Fri Oct 7 14:09:04 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt42 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --ixyz trajectory.xyz ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt42' make -C rt46 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt46' ../../scripts/run Fri Oct 7 14:09:04 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt46 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed=plumed.dat --timestep=0.05 --ixyz amyloid.xyz --dump-forces ff ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt46' make -C rt54-xdrfile make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt54-xdrfile' ../../scripts/run Fri Oct 7 14:09:04 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt54-xdrfile cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixtc traj.xtc ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt54-xdrfile' make -C rt-mpi0 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-mpi0' ../../scripts/run Fri Oct 7 14:09:04 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-mpi0 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed=plumed.dat --timestep=0.05 --ixyz trajectory.xyz --dump-forces ff ++ Processors: 4 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-mpi0' make -C rt19 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt19' ../../scripts/run Fri Oct 7 14:09:04 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt19 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz trajectory.xyz --dump-forces forces --dump-forces-fmt=%8.4f ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt19' make -C rt22 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt22' ../../scripts/run Fri Oct 7 14:09:04 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt22 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz trajectory.xyz ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt22' make -C rt17 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt17' ../../scripts/run Fri Oct 7 14:09:04 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt17 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz trajectory.xyz --dump-forces forces --dump-forces-fmt=%8.4f ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt17' make -C rt32 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt32' ../../scripts/run Fri Oct 7 14:09:04 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt32 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz ala12_trajectory.xyz --dump-forces forces --dump-forces-fmt=%10.6f ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt32' make -C rt-dhenergy make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-dhenergy' ../../scripts/run Fri Oct 7 14:09:04 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-dhenergy cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz trajectory.xyz --dump-forces forces --dump-forces-fmt=%10.6f --pdb test.pdb ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-dhenergy' make -C rt10-mpi make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt10-mpi' ../../scripts/run Fri Oct 7 14:09:04 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt10-mpi cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz trajectory.xyz --dump-forces forces --dump-forces-fmt=%10.6f --box 5.0388,5.0388,5.0388 ++ Processors: 2 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt10-mpi' make -C rt51 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt51' ../../scripts/run Fri Oct 7 14:09:04 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt51 cp: omitting directory '../tmp' ++ Test type: sum_hills ++ Arguments: --kt 0.6 --sigma 0.2,0.2 --bin 30,30 --histo HILLS_t1 --fmt %8.3f --outhisto correction.dat ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt51' make -C rt15 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt15' ../../scripts/run Fri Oct 7 14:09:04 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt15 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz trajectory.xyz ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt15' make -C rt1 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt1' ../../scripts/run Fri Oct 7 14:09:04 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt1 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz trajectory.xyz --dump-forces forces --dump-forces-fmt=%8.4f ../../scripts/run: line 48: plumed: command not found ++ Processors: 0 FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt1' make -C rt39 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt39' ../../scripts/run Fri Oct 7 14:09:04 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt39 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 50 --timestep 0.005 --ixyz diala_traj_nm.xyz --dump-forces forces --dump-forces-fmt=%10.6f ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt39' make -C rt65-mpi make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt65-mpi' ../../scripts/run Fri Oct 7 14:09:04 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt65-mpi cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz ala12_trajectory.xyz --multi 2 --dump-forces ff ++ Processors: 4 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt65-mpi' make -C rt42b make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt42b' ../../scripts/run Fri Oct 7 14:09:04 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt42b cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --igro trajectory.gro ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt42b' make -C rt64 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt64' ../../scripts/run Fri Oct 7 14:09:04 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt64 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz trajectory.xyz ../../scripts/run: line 48: plumed: command not found ++ Processors: 0 FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt64' make -C rt39-mpi make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt39-mpi' ../../scripts/run Fri Oct 7 14:09:04 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt39-mpi cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 50 --timestep 0.005 --ixyz diala_traj_nm.xyz --dump-forces forces --dump-forces-fmt=%10.6f ++ Processors: 2 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt39-mpi' make -C rt48 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt48' ../../scripts/run Fri Oct 7 14:09:04 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt48 cp: omitting directory '../tmp' ++ Test type: sum_hills ++ Arguments: --min -pi,pi --max -pi,pi --bin 49,49 --hills HILLS_t1a,HILLS_t1b --fmt %8.3f ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt48' make -C rt18 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt18' ../../scripts/run Fri Oct 7 14:09:04 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt18 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz trajectory.xyz --dump-forces forces --dump-forces-fmt=%8.4f ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt18' make -C rt-make-0 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-make-0' ../../scripts/run Fri Oct 7 14:09:04 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-make-0 cp: omitting directory '../tmp' ++ Test type: make ++ Arguments: ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-make-0' make -C rt64-mpi make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt64-mpi' ../../scripts/run Fri Oct 7 14:09:04 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt64-mpi cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz ala12_trajectory.xyz --multi 2 ++ Processors: 2 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt64-mpi' make -C rt-molfile-3 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-molfile-3' ../../scripts/run Fri Oct 7 14:09:04 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-molfile-3 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --mf_xtc test.xtc ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-molfile-3' make -C rt-molfile-1 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-molfile-1' ../../scripts/run Fri Oct 7 14:09:04 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-molfile-1 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 1 --timestep 0.005 --pdb diala.pdb --mf_xtc traj.xtc --dump-forces forces --dump-forces-fmt=%10.6f ../../scripts/run: line 48: plumed: command not found ++ Processors: 0 FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-molfile-1' make -C rt35 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt35' ../../scripts/run Fri Oct 7 14:09:04 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt35 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz diala_traj_nm.xyz --dump-forces forces --dump-forces-fmt=%10.6f ../../scripts/run: line 48: plumed: command not found ++ Processors: 0 FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt35' make -C rt44 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt44' ../../scripts/run Fri Oct 7 14:09:04 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt44 cp: omitting directory '../tmp' ++ Test type: sum_hills ++ Arguments: --min -pi,pi --max -pi,pi --bin 99,99 --hills HILLS_t1 --fmt %12.7f ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt44' make -C rt28 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt28' ../../scripts/run Fri Oct 7 14:09:04 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt28 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --ixyz trajectory.xyz ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt28' make -C rt27 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt27' ../../scripts/run Fri Oct 7 14:09:04 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt27 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz trajectory.xyz --dump-forces forces --dump-forces-fmt=%10.6f ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt27' make -C rt52 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt52' ../../scripts/run Fri Oct 7 14:09:04 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt52 cp: omitting directory '../tmp' ++ Test type: sum_hills ++ Arguments: --negbias --bin 30,30 --hills HILLS_t2 --fmt %8.3f ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt52' make -C rt20 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt20' ../../scripts/run Fri Oct 7 14:09:04 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt20 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --ixyz trajectory.xyz ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt20' make -C rt54 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt54' ../../scripts/run Fri Oct 7 14:09:04 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt54 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --igro helix.input.gro ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt54' make -C rt42c make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt42c' ../../scripts/run Fri Oct 7 14:09:04 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt42c cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --ixyz trajectory.xyz ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt42c' make -C rt2 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt2' ../../scripts/run Fri Oct 7 14:09:04 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt2 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz trajectory.xyz --dump-forces forces --dump-forces-fmt=%8.4f ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt2' make -C rt11-mpi make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt11-mpi' ../../scripts/run Fri Oct 7 14:09:04 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt11-mpi cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz trajectory.xyz --dump-forces forces --dump-forces-fmt=%10.6f ../../scripts/run: line 48: plumed: command not found ++ Processors: 2 FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt11-mpi' make -C rt-xdrfile-1 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-xdrfile-1' ../../scripts/run Fri Oct 7 14:09:04 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-xdrfile-1 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 1 --timestep 0.005 --itrr traj.trr ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-xdrfile-1' make -C rt-newline make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-newline' ../../scripts/run Fri Oct 7 14:09:04 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-newline cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz trajectory.xyz --dump-forces forces --dump-forces-fmt=%10.6f ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-newline' make -C rt10-restart make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt10-restart' ../../scripts/run Fri Oct 7 14:09:04 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt10-restart cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz trajectory.xyz --dump-forces forces --dump-forces-fmt=%10.6f --box 5.0388,5.0388,5.0388 ../../scripts/run: line 48: plumed: command not found ++ Processors: 0 FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt10-restart' make -C rt-mpi7 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-mpi7' ../../scripts/run Fri Oct 7 14:09:04 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-mpi7 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed=plumed.dat --timestep=0.05 --ixyz trajectory.xyz --multi 3 ++ Processors: 3 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-mpi7' make -C rt59 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt59' ../../scripts/run Fri Oct 7 14:09:04 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt59 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 1 --timestep 0.005 --igro traj_10dec.gro ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt59' make -C rt11 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt11' ../../scripts/run Fri Oct 7 14:09:04 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt11 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz trajectory.xyz --dump-forces forces --dump-forces-fmt=%10.6f ../../scripts/run: line 48: plumed: command not found ++ Processors: 0 FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt11' make -C rt-make-3 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-make-3' ../../scripts/run Fri Oct 7 14:09:04 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-make-3 cp: omitting directory '../tmp' ++ Test type: make ++ Arguments: ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-make-3' make -C rt49 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt49' ../../scripts/run Fri Oct 7 14:09:04 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt49 cp: omitting directory '../tmp' ++ Test type: sum_hills ++ Arguments: --hills HILLS_t1 --fmt %8.3f ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt49' make -C rt61-cregex make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt61-cregex' ../../scripts/run Fri Oct 7 14:09:04 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt61-cregex cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 10 --timestep 1 --ixyz diala_traj_nm.xyz ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt61-cregex' make -C rt47 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt47' ../../scripts/run Fri Oct 7 14:09:04 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt47 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed=plumed.dat --timestep=0.05 --ixyz trajectory.xyz --dump-forces ff ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt47' make -C rt56 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt56' ../../scripts/run Fri Oct 7 14:09:04 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt56 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 1 --timestep 0.005 --ixyz diala_traj_nm.xyz --dump-forces forces --dump-forces-fmt=%10.6f ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt56' make -C rt-mpi6b make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-mpi6b' ../../scripts/run Fri Oct 7 14:09:04 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-mpi6b cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed=plumed.dat --timestep=0.05 --ixyz trajectory.xyz --dump-forces ff --pdb test.pdb --multi 3 ++ Processors: 3 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-mpi6b' make -C rt4 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt4' ../../scripts/run Fri Oct 7 14:09:04 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt4 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz trajectory.xyz --dump-forces forces --dump-forces-fmt=%10.6f ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt4' make -C rt0 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt0' ../../scripts/run Fri Oct 7 14:09:04 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt0 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz trajectory.xyz --dump-forces forces --dump-forces-fmt=%8.4f ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt0' make -C rt-multirmsd make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-multirmsd' ../../scripts/run Fri Oct 7 14:09:04 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-multirmsd cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz trajectory.xyz --dump-forces forces --dump-forces-fmt=%8.4f ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-multirmsd' make -C rt-mpi3 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-mpi3' ../../scripts/run Fri Oct 7 14:09:04 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-mpi3 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed=plumed.dat --timestep=0.05 --ixyz trajectory.xyz --dump-forces ff --pdb test.pdb --multi 3 --debug-dd --debug-grex 2 --debug-grex-log log.grex ++ Processors: 6 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-mpi3' make -C rt-mpi1 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-mpi1' ../../scripts/run Fri Oct 7 14:09:04 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-mpi1 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed=plumed.dat --timestep=0.05 --ixyz trajectory.xyz --dump-forces ff --debug-pd ++ Processors: 4 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-mpi1' make -C rt21 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt21' ../../scripts/run Fri Oct 7 14:09:04 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt21 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --ixyz traj.xyz ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt21' make -C rt22-mpi make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt22-mpi' ../../scripts/run Fri Oct 7 14:09:04 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt22-mpi cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz ala12_trajectory.xyz --multi 2 ++ Processors: 2 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt22-mpi' make -C rt-mpi6 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-mpi6' ../../scripts/run Fri Oct 7 14:09:04 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-mpi6 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed=plumed.dat --timestep=0.05 --ixyz trajectory.xyz --dump-forces ff --pdb test.pdb --multi 3 ++ Processors: 6 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-mpi6' make -C rt-molfile-2 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-molfile-2' ../../scripts/run Fri Oct 7 14:09:04 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-molfile-2 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 1 --timestep 0.005 --pdb diala.pdb --mf_dcd traj.dcd --dump-forces forces --dump-forces-fmt=%10.6f ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-molfile-2' make -C rt50 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt50' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt50 cp: omitting directory '../tmp' ++ Test type: sum_hills ++ Arguments: --idw t1 --kt 0.6 --stride 300 --hills HILLS_t1 --fmt %8.3f ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt50' make -C rt40 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt40' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt40 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 50 --timestep 0.005 --ixyz diala_traj_nm.xyz --dump-forces forces --dump-forces-fmt=%10.6f ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt40' make -C rt-simplemd1 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-simplemd1' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-simplemd1 cp: omitting directory '../tmp' ++ Test type: simplemd ++ Arguments: ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-simplemd1' make -C rt-simplemd2 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-simplemd2' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-simplemd2 cp: omitting directory '../tmp' ++ Test type: simplemd ++ Arguments: ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-simplemd2' make -C rt13 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt13' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt13 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz trajectory.xyz --dump-forces forces --dump-forces-fmt=%10.6f ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt13' make -C rt67 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt67' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt67 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 500 --timestep 0.002 --igro traj.gro ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt67' make -C rt62-cregex make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt62-cregex' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt62-cregex cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 10 --timestep 1 --ixyz diala_traj_nm.xyz ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt62-cregex' make -C rt63 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt63' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt63 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --igro helix.input.gro --dump-forces ff --dump-full-virial ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt63' make -C rt16b make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt16b' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt16b cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz trajectory.xyz --dump-forces forces --dump-forces-fmt=%10.6f --mc mc ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt16b' make -C rt-molfile-6 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-molfile-6' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-molfile-6 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --mf_pdb input.pdb ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-molfile-6' make -C rt63b make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt63b' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt63b cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --igro helix.input.gro --dump-forces ff --dump-full-virial ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt63b' make -C rt16 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt16' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt16 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz trajectory.xyz --dump-forces forces --dump-forces-fmt=%10.6f --pdb test.pdb ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt16' make -C rt12 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt12' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt12 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz trajectory.xyz --dump-forces forces --dump-forces-fmt=%10.6f ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt12' make -C rt-mpi4 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-mpi4' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-mpi4 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed=plumed.dat --timestep=0.05 --ixyz trajectory.xyz --dump-forces ff --pdb test.pdb --multi 3 --debug-dd --debug-grex 2 --debug-grex-log log.grex ++ Processors: 6 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-mpi4' make -C rt-molfile-5 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-molfile-5' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-molfile-5 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --mf_crdbox test.crd --natoms 9560 ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-molfile-5' make -C rt41 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt41' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt41 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 50 --timestep 0.005 --noatoms ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt41' make -C rt38 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt38' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt38 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz diala_traj_nm.xyz --dump-forces forces --dump-forces-fmt=%10.6f ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt38' make -C rt37 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt37' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt37 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz diala_traj_nm.xyz --dump-forces forces --dump-forces-fmt=%10.6f ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt37' make -C rt67-mpi make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt67-mpi' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt67-mpi cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 500 --timestep 0.002 --igro traj.gro ++ Processors: 4 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt67-mpi' make -C rt55 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt55' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt55 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --ixyz trajectory.xyz ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt55' make -C rt-mpi8 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-mpi8' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-mpi8 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed=plumed.dat --timestep=0.05 --ixyz trajectory.xyz --dump-forces ff --multi 3 --debug-dd --debug-grex 2 --debug-grex-log log.grex ++ Processors: 6 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-mpi8' make -C rt3 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt3' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt3 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz trajectory.xyz --dump-forces forces --dump-forces-fmt=%8.4f ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt3' make -C rt-combine-periodic make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-combine-periodic' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-combine-periodic cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz tmp.xyz --dump-forces forces --dump-forces-fmt=%8.4f ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-combine-periodic' make -C rt-ghost-1 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-ghost-1' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-ghost-1 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --ixyz trajectory.xyz --dump-forces ff --dump-forces-fmt=%10.6f --dump-full-virial ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-ghost-1' make -C rt-tg1 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-tg1' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-tg1 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --length-units A --ixyz tip3.A.xyz --pdb tip3.plumed.pdb ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-tg1' make -C rt65-rmsd2 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt65-rmsd2' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt65-rmsd2 cp: omitting directory '../tmp' ++ Test type: make ++ Arguments: ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt65-rmsd2' make -C rt36 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt36' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt36 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz trajectory.xyz --dump-forces forces --dump-forces-fmt=%8.4f ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt36' make -C rt-make-1 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-make-1' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-make-1 cp: omitting directory '../tmp' ++ Test type: make ++ Arguments: ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-make-1' make -C rt-ghost-2 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-ghost-2' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-ghost-2 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --ixyz trajectory.xyz --dump-forces ff --dump-forces-fmt=%10.6f --dump-full-virial ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-ghost-2' make -C rt40-mpi make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt40-mpi' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt40-mpi cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 50 --timestep 0.005 --ixyz diala_traj_nm.xyz --dump-forces forces --dump-forces-fmt=%10.6f ++ Processors: 2 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt40-mpi' make -C rt10 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt10' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt10 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz trajectory.xyz --dump-forces forces --dump-forces-fmt=%10.6f --box 5.0388,5.0388,5.0388 ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt10' make -C rt-molfile-4 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-molfile-4' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-molfile-4 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --mf_crd test.crd --natoms 2257 ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-molfile-4' make -C rt23 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt23' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt23 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --ixyz trajectory.xyz --dump-forces forces.xyz --dump-forces-fmt=%10.6f ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt23' make -C rt58 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt58' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt58 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 1 --timestep 0.005 --igro traj_5dec.gro ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt58' make -C rt-make-2 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-make-2' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-make-2 cp: omitting directory '../tmp' ++ Test type: make ++ Arguments: ++ Processors: 3 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-make-2' make -C rt-mpi2 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-mpi2' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-mpi2 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed=plumed.dat --timestep=0.05 --ixyz trajectory.xyz --dump-forces ff --pdb test.pdb --debug-dd ++ Processors: 4 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-mpi2' make -C rt60-cregex make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt60-cregex' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt60-cregex cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 10 --timestep 1 --ixyz diala_traj_nm.xyz ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt60-cregex' make -C rt31 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt31' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt31 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz ala12_trajectory.xyz --dump-forces forces --dump-forces-fmt=%10.6f ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt31' make -C rt-mpi9 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-mpi9' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-mpi9 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed=plumed.dat --timestep=0.05 --ixyz trajectory.xyz --multi 3 ++ Processors: 3 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-mpi9' make -C rt19-mpi make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt19-mpi' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt19-mpi cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz trajectory.xyz --dump-forces forces --dump-forces-fmt=%8.4f --multi 2 ++ Processors: 2 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt19-mpi' make -C rt57 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt57' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt57 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 1 --timestep 0.005 --igro traj_3dec.gro ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt57' make -C rt6 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt6' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt6 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz trajectory.xyz --dump-forces forces --dump-forces-fmt=%10.6f ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt6' make -C rt66b make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt66b' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt66b cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --ixyz traj.xyz ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt66b' make -C rt9 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt9' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt9 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz trajectory.xyz --dump-forces forces --dump-forces-fmt=%10.6f ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt9' make -C rt8 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt8' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt8 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz trajectory.xyz --dump-forces forces --dump-forces-fmt=%10.6f ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt8' make -C rt7 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt7' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt7 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz trajectory.xyz --dump-forces forces --dump-forces-fmt=%10.6f ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt7' make -C rt66 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt66' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt66 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --ixyz traj.xyz ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt66' make -C rt5 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt5' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt5 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz trajectory.xyz --dump-forces forces --dump-forces-fmt=%10.6f ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt5' make -C rt64-pca make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt64-pca' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt64-pca cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 10 --timestep 1 --ixyz diala_traj_nm.xyz ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt64-pca' make -C rt-xdrfile-2 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-xdrfile-2' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-xdrfile-2 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 1 --timestep 0.005 --itrr traj.trr --multi 2 ++ Processors: 2 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-xdrfile-2' make -C rt44b make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt44b' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt44b cp: omitting directory '../tmp' ++ Test type: sum_hills ++ Arguments: --min -pi,-pi --max pi,pi --bin 20,20 --hills HILLS --fmt %12.7f ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt44b' make -C rt-simplemd0 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-simplemd0' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-simplemd0 cp: omitting directory '../tmp' ++ Test type: simplemd ++ Arguments: ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-simplemd0' make -C rt24 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt24' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt24 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 1 --timestep 0.005 --ixyz ala12_trajectory.xyz --dump-forces forces --dump-forces-fmt=%10.6f ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt24' make -C rt26 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt26' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt26 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz trajectory.xyz --dump-forces forces --dump-forces-fmt=%10.6f ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt26' make -C rt14 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt14' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt14 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz trajectory.xyz --dump-forces forces --dump-forces-fmt=%8.4f ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt14' make -C rt-mpi7b make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-mpi7b' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-mpi7b cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed=plumed.dat --timestep=0.05 --ixyz trajectory.xyz --multi 3 ++ Processors: 3 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-mpi7b' make -C rt25 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt25' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt25 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 1 --timestep 0.005 --ixyz diala_traj_nm.xyz --dump-forces forces --dump-forces-fmt=%10.6f ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt25' make -C rt34 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt34' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt34 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz trajectory.xyz --dump-forces forces --dump-forces-fmt=%8.4f ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt34' make -C rt-make-4 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-make-4' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-make-4 cp: omitting directory '../tmp' ++ Test type: make ++ Arguments: ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt-make-4' make -C rt30 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt30' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt30 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz ala12_trajectory.xyz --dump-forces forces --dump-forces-fmt=%10.6f ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic/rt30' make[1]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/basic' make -C analysis make[1]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/analysis' make -C rt0 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/analysis/rt0' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/analysis/rt0 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --ixyz trajectory.xyz ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/analysis/rt0' make -C rt-mds make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/analysis/rt-mds' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/analysis/rt-mds cp: omitting directory '../tmp' ++ Test type: simplemd ++ Arguments: ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/analysis/rt-mds' make[1]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/analysis' make -C mapping make[1]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/mapping' make -C rt39 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/mapping/rt39' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/mapping/rt39 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 50 --timestep 0.005 --ixyz diala_traj_nm.xyz --dump-forces forces --dump-forces-fmt=%10.6f ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/mapping/rt39' make -C rt-pca make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/mapping/rt-pca' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/mapping/rt-pca cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --length-units A --ixyz pca-test.xyz --box 100.,100.,100. ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/mapping/rt-pca' make -C rt40-mpi make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/mapping/rt40-mpi' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/mapping/rt40-mpi cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 50 --timestep 0.005 --ixyz diala_traj_nm.xyz --dump-forces forces --dump-forces-fmt=%10.6f ++ Processors: 2 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/mapping/rt40-mpi' make -C rt-pca-multi make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/mapping/rt-pca-multi' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/mapping/rt-pca-multi cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --length-units A --ixyz pca-test.xyz --box 100.,100.,100. ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/mapping/rt-pca-multi' make -C rt40 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/mapping/rt40' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/mapping/rt40 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 50 --timestep 0.005 --ixyz diala_traj_nm.xyz --dump-forces forces --dump-forces-fmt=%10.6f ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/mapping/rt40' make -C rt39-mpi make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/mapping/rt39-mpi' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/mapping/rt39-mpi cp: omitting directory '../tmp' cp: cannot stat '../../trajectories/path_msd/all.pdb': No such file or directory ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 50 --timestep 0.005 --ixyz diala_traj_nm.xyz --dump-forces forces --dump-forces-fmt=%10.6f ++ Processors: 2 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/mapping/rt39-mpi' make[1]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/mapping' make -C multicolvar make[1]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/multicolvar' make -C rt20-mpi make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/multicolvar/rt20-mpi' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/multicolvar/rt20-mpi cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz trajectory.xyz --dump-forces forces --dump-forces-fmt=%8.4f ++ Processors: 4 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/multicolvar/rt20-mpi' make -C rt-dihcor make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/multicolvar/rt-dihcor' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/multicolvar/rt-dihcor cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --timestep 0.005 --ixyz trajectory.xyz --dump-forces forces --dump-forces-fmt=%8.4f ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/multicolvar/rt-dihcor' make -C rt22 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/multicolvar/rt22' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/multicolvar/rt22 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz trajectory.xyz --dump-forces forces --dump-forces-fmt=%8.4f ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/multicolvar/rt22' make -C rt25 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/multicolvar/rt25' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/multicolvar/rt25 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --timestep 0.005 --ixyz trajectory.xyz --dump-forces forces --dump-forces-fmt=%8.4f ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/multicolvar/rt25' make -C rt19-mpi make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/multicolvar/rt19-mpi' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/multicolvar/rt19-mpi cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz trajectory.xyz --dump-forces forces --dump-forces-fmt=%8.4f ++ Processors: 4 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/multicolvar/rt19-mpi' make -C rt-waterbridge make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/multicolvar/rt-waterbridge' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/multicolvar/rt-waterbridge cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz trajectory.xyz --dump-forces forces --dump-forces-fmt=%8.4f ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/multicolvar/rt-waterbridge' make -C rt20 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/multicolvar/rt20' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/multicolvar/rt20 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz trajectory.xyz --dump-forces forces --dump-forces-fmt=%8.4f ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/multicolvar/rt20' make -C rt24 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/multicolvar/rt24' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/multicolvar/rt24 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --timestep 0.005 --ixyz trajectory.xyz --dump-forces forces --dump-forces-fmt=%8.4f ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/multicolvar/rt24' make -C rt19 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/multicolvar/rt19' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/multicolvar/rt19 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz trajectory.xyz --dump-forces forces --dump-forces-fmt=%8.4f ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/multicolvar/rt19' make -C rt15 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/multicolvar/rt15' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/multicolvar/rt15 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz trajectory.xyz --dump-forces forces --dump-forces-fmt=%8.4f ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/multicolvar/rt15' make -C rt-filters make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/multicolvar/rt-filters' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/multicolvar/rt-filters cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz trajectory.xyz --dump-forces forces --dump-forces-fmt=%8.4f ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/multicolvar/rt-filters' make -C rt23 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/multicolvar/rt23' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/multicolvar/rt23 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz trajectory.xyz --dump-forces forces --dump-forces-fmt=%8.4f ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/multicolvar/rt23' make -C rt24-lowmem make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/multicolvar/rt24-lowmem' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/multicolvar/rt24-lowmem cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --timestep 0.005 --ixyz trajectory.xyz --dump-forces forces --dump-forces-fmt=%8.4f ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/multicolvar/rt24-lowmem' make -C rt-cavity make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/multicolvar/rt-cavity' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/multicolvar/rt-cavity cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz rotating_box.xyz --dump-forces forces --dump-forces-fmt=%8.4f ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/multicolvar/rt-cavity' make -C rt45 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/multicolvar/rt45' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/multicolvar/rt45 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz trajectory.xyz --dump-forces forces --dump-forces-fmt=%8.4f ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/multicolvar/rt45' make -C rt-sprint make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/multicolvar/rt-sprint' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/multicolvar/rt-sprint cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --ixyz isomers.xyz ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/multicolvar/rt-sprint' make -C rt-link make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/multicolvar/rt-link' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/multicolvar/rt-link cp: omitting directory '../tmp' ++ Test type: make ++ Arguments: ++ Processors: 2 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/multicolvar/rt-link' make -C rt21 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/multicolvar/rt21' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/multicolvar/rt21 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz trajectory.xyz --dump-forces forces --dump-forces-fmt=%8.4f ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/multicolvar/rt21' make[1]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/multicolvar' make -C secondarystructure make[1]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/secondarystructure' make -C rt32 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/secondarystructure/rt32' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/secondarystructure/rt32 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz ala12_trajectory.xyz --dump-forces forces --dump-forces-fmt=%10.6f ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/secondarystructure/rt32' make -C rt33 make[2]: Entering directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/secondarystructure/rt33' ../../scripts/run Fri Oct 7 14:09:05 UTC 2016 Running regtest in /builddir/build/BUILD/plumed-2.2.1/serial/regtest/secondarystructure/rt33 cp: omitting directory '../tmp' ++ Test type: driver ++ Arguments: --plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz amyloid.xyz --dump-forces forces --dump-forces-fmt=%10.6f ++ Processors: 0 ../../scripts/run: line 48: plumed: command not found FAILURE: plumed executable not available make[2]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/secondarystructure/rt33' make[1]: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest/secondarystructure' scripts/check +++++++++++++++++++++++++++++++++++++++++++++++++++++ + Test session ended at Fri Oct 7 14:09:05 UTC 2016 + ERROR in test analysis/rt-mds/ + check file analysis/rt-mds/report.txt for more information + ERROR in test analysis/rt0/ + check file analysis/rt0/report.txt for more information + ERROR in test mapping/rt-pca-multi/ + check file mapping/rt-pca-multi/report.txt for more information + ERROR in test mapping/rt-pca/ + check file mapping/rt-pca/report.txt for more information + ERROR in test mapping/rt39-mpi/ + check file mapping/rt39-mpi/report.txt for more information + ERROR in test mapping/rt39/ + check file mapping/rt39/report.txt for more information + ERROR in test mapping/rt40-mpi/ + check file mapping/rt40-mpi/report.txt for more information + ERROR in test mapping/rt40/ + check file mapping/rt40/report.txt for more information + ERROR in test multicolvar/rt-cavity/ + check file multicolvar/rt-cavity/report.txt for more information + ERROR in test multicolvar/rt-dihcor/ + check file multicolvar/rt-dihcor/report.txt for more information + ERROR in test multicolvar/rt-filters/ + check file multicolvar/rt-filters/report.txt for more information + ERROR in test multicolvar/rt-link/ + check file multicolvar/rt-link/report.txt for more information + ERROR in test multicolvar/rt-sprint/ + check file multicolvar/rt-sprint/report.txt for more information + ERROR in test multicolvar/rt-waterbridge/ + check file multicolvar/rt-waterbridge/report.txt for more information + ERROR in test multicolvar/rt15/ + check file multicolvar/rt15/report.txt for more information + ERROR in test multicolvar/rt19-mpi/ + check file multicolvar/rt19-mpi/report.txt for more information + ERROR in test multicolvar/rt19/ + check file multicolvar/rt19/report.txt for more information + ERROR in test multicolvar/rt20-mpi/ + check file multicolvar/rt20-mpi/report.txt for more information + ERROR in test multicolvar/rt20/ + check file multicolvar/rt20/report.txt for more information + ERROR in test multicolvar/rt21/ + check file multicolvar/rt21/report.txt for more information + ERROR in test multicolvar/rt22/ + check file multicolvar/rt22/report.txt for more information + ERROR in test multicolvar/rt23/ + check file multicolvar/rt23/report.txt for more information + ERROR in test multicolvar/rt24-lowmem/ + check file multicolvar/rt24-lowmem/report.txt for more information + ERROR in test multicolvar/rt24/ + check file multicolvar/rt24/report.txt for more information + ERROR in test multicolvar/rt25/ + check file multicolvar/rt25/report.txt for more information + ERROR in test multicolvar/rt45/ + check file multicolvar/rt45/report.txt for more information + ERROR in test secondarystructure/rt32/ + check file secondarystructure/rt32/report.txt for more information + ERROR in test secondarystructure/rt33/ + check file secondarystructure/rt33/report.txt for more information + ERROR in test basic/rt-combine-periodic/ + check file basic/rt-combine-periodic/report.txt for more information + ERROR in test basic/rt-dhenergy/ + check file basic/rt-dhenergy/report.txt for more information + ERROR in test basic/rt-ghost-1/ + check file basic/rt-ghost-1/report.txt for more information + ERROR in test basic/rt-ghost-2/ + check file basic/rt-ghost-2/report.txt for more information + ERROR in test basic/rt-make-0/ + check file basic/rt-make-0/report.txt for more information + ERROR in test basic/rt-make-1/ + check file basic/rt-make-1/report.txt for more information + ERROR in test basic/rt-make-2/ + check file basic/rt-make-2/report.txt for more information + ERROR in test basic/rt-make-3/ + check file basic/rt-make-3/report.txt for more information + ERROR in test basic/rt-make-4/ + check file basic/rt-make-4/report.txt for more information + ERROR in test basic/rt-molfile-1/ + check file basic/rt-molfile-1/report.txt for more information + ERROR in test basic/rt-molfile-2/ + check file basic/rt-molfile-2/report.txt for more information + ERROR in test basic/rt-molfile-3/ + check file basic/rt-molfile-3/report.txt for more information + ERROR in test basic/rt-molfile-4/ + check file basic/rt-molfile-4/report.txt for more information + ERROR in test basic/rt-molfile-5/ + check file basic/rt-molfile-5/report.txt for more information + ERROR in test basic/rt-molfile-6/ + check file basic/rt-molfile-6/report.txt for more information + ERROR in test basic/rt-mpi0/ + check file basic/rt-mpi0/report.txt for more information + ERROR in test basic/rt-mpi1/ + check file basic/rt-mpi1/report.txt for more information + ERROR in test basic/rt-mpi2/ + check file basic/rt-mpi2/report.txt for more information + ERROR in test basic/rt-mpi3/ + check file basic/rt-mpi3/report.txt for more information + ERROR in test basic/rt-mpi4/ + check file basic/rt-mpi4/report.txt for more information + ERROR in test basic/rt-mpi6/ + check file basic/rt-mpi6/report.txt for more information + ERROR in test basic/rt-mpi6b/ + check file basic/rt-mpi6b/report.txt for more information + ERROR in test basic/rt-mpi7/ + check file basic/rt-mpi7/report.txt for more information + ERROR in test basic/rt-mpi7b/ + check file basic/rt-mpi7b/report.txt for more information + ERROR in test basic/rt-mpi8/ + check file basic/rt-mpi8/report.txt for more information + ERROR in test basic/rt-mpi9/ + check file basic/rt-mpi9/report.txt for more information + ERROR in test basic/rt-multirmsd/ + check file basic/rt-multirmsd/report.txt for more information + ERROR in test basic/rt-newline/ + check file basic/rt-newline/report.txt for more information + ERROR in test basic/rt-simplemd0/ + check file basic/rt-simplemd0/report.txt for more information + ERROR in test basic/rt-simplemd1/ + check file basic/rt-simplemd1/report.txt for more information + ERROR in test basic/rt-simplemd2/ + check file basic/rt-simplemd2/report.txt for more information + ERROR in test basic/rt-tg1/ + check file basic/rt-tg1/report.txt for more information + ERROR in test basic/rt-xdrfile-1/ + check file basic/rt-xdrfile-1/report.txt for more information + ERROR in test basic/rt-xdrfile-2/ + check file basic/rt-xdrfile-2/report.txt for more information + ERROR in test basic/rt0/ + check file basic/rt0/report.txt for more information + ERROR in test basic/rt1/ + check file basic/rt1/report.txt for more information + ERROR in test basic/rt10-mpi/ + check file basic/rt10-mpi/report.txt for more information + ERROR in test basic/rt10-restart/ + check file basic/rt10-restart/report.txt for more information + ERROR in test basic/rt10/ + check file basic/rt10/report.txt for more information + ERROR in test basic/rt11-mpi/ + check file basic/rt11-mpi/report.txt for more information + ERROR in test basic/rt11/ + check file basic/rt11/report.txt for more information + ERROR in test basic/rt12/ + check file basic/rt12/report.txt for more information + ERROR in test basic/rt13/ + check file basic/rt13/report.txt for more information + ERROR in test basic/rt14/ + check file basic/rt14/report.txt for more information + ERROR in test basic/rt15/ + check file basic/rt15/report.txt for more information + ERROR in test basic/rt16/ + check file basic/rt16/report.txt for more information + ERROR in test basic/rt16b/ + check file basic/rt16b/report.txt for more information + ERROR in test basic/rt17/ + check file basic/rt17/report.txt for more information + ERROR in test basic/rt18/ + check file basic/rt18/report.txt for more information + ERROR in test basic/rt19-mpi/ + check file basic/rt19-mpi/report.txt for more information + ERROR in test basic/rt19/ + check file basic/rt19/report.txt for more information + ERROR in test basic/rt2/ + check file basic/rt2/report.txt for more information + ERROR in test basic/rt20/ + check file basic/rt20/report.txt for more information + ERROR in test basic/rt21/ + check file basic/rt21/report.txt for more information + ERROR in test basic/rt22-mpi/ + check file basic/rt22-mpi/report.txt for more information + ERROR in test basic/rt22/ + check file basic/rt22/report.txt for more information + ERROR in test basic/rt23/ + check file basic/rt23/report.txt for more information + ERROR in test basic/rt24/ + check file basic/rt24/report.txt for more information + ERROR in test basic/rt25/ + check file basic/rt25/report.txt for more information + ERROR in test basic/rt26/ + check file basic/rt26/report.txt for more information + ERROR in test basic/rt27/ + check file basic/rt27/report.txt for more information + ERROR in test basic/rt28/ + check file basic/rt28/report.txt for more information + ERROR in test basic/rt3/ + check file basic/rt3/report.txt for more information + ERROR in test basic/rt30/ + check file basic/rt30/report.txt for more information + ERROR in test basic/rt31/ + check file basic/rt31/report.txt for more information + ERROR in test basic/rt32/ + check file basic/rt32/report.txt for more information + ERROR in test basic/rt34/ + check file basic/rt34/report.txt for more information + ERROR in test basic/rt35/ + check file basic/rt35/report.txt for more information + ERROR in test basic/rt36/ + check file basic/rt36/report.txt for more information + ERROR in test basic/rt37/ + check file basic/rt37/report.txt for more information + ERROR in test basic/rt38/ + check file basic/rt38/report.txt for more information + ERROR in test basic/rt39-mpi/ + check file basic/rt39-mpi/report.txt for more information + ERROR in test basic/rt39/ + check file basic/rt39/report.txt for more information + ERROR in test basic/rt4/ + check file basic/rt4/report.txt for more information + ERROR in test basic/rt40-mpi/ + check file basic/rt40-mpi/report.txt for more information + ERROR in test basic/rt40/ + check file basic/rt40/report.txt for more information + ERROR in test basic/rt41/ + check file basic/rt41/report.txt for more information + ERROR in test basic/rt42/ + check file basic/rt42/report.txt for more information + ERROR in test basic/rt42b/ + check file basic/rt42b/report.txt for more information + ERROR in test basic/rt42c/ + check file basic/rt42c/report.txt for more information + ERROR in test basic/rt44/ + check file basic/rt44/report.txt for more information + ERROR in test basic/rt44b/ + check file basic/rt44b/report.txt for more information + ERROR in test basic/rt46/ + check file basic/rt46/report.txt for more information + ERROR in test basic/rt47/ + check file basic/rt47/report.txt for more information + ERROR in test basic/rt48/ + check file basic/rt48/report.txt for more information + ERROR in test basic/rt49/ + check file basic/rt49/report.txt for more information + ERROR in test basic/rt5/ + check file basic/rt5/report.txt for more information + ERROR in test basic/rt50/ + check file basic/rt50/report.txt for more information + ERROR in test basic/rt51/ + check file basic/rt51/report.txt for more information + ERROR in test basic/rt52/ + check file basic/rt52/report.txt for more information + ERROR in test basic/rt54-xdrfile/ + check file basic/rt54-xdrfile/report.txt for more information + ERROR in test basic/rt54/ + check file basic/rt54/report.txt for more information + ERROR in test basic/rt55/ + check file basic/rt55/report.txt for more information + ERROR in test basic/rt56/ + check file basic/rt56/report.txt for more information + ERROR in test basic/rt57/ + check file basic/rt57/report.txt for more information + ERROR in test basic/rt58/ + check file basic/rt58/report.txt for more information + ERROR in test basic/rt59/ + check file basic/rt59/report.txt for more information + ERROR in test basic/rt6/ + check file basic/rt6/report.txt for more information + ERROR in test basic/rt60-cregex/ + check file basic/rt60-cregex/report.txt for more information + ERROR in test basic/rt61-cregex/ + check file basic/rt61-cregex/report.txt for more information + ERROR in test basic/rt62-cregex/ + check file basic/rt62-cregex/report.txt for more information + ERROR in test basic/rt63/ + check file basic/rt63/report.txt for more information + ERROR in test basic/rt63b/ + check file basic/rt63b/report.txt for more information + ERROR in test basic/rt64-mpi/ + check file basic/rt64-mpi/report.txt for more information + ERROR in test basic/rt64-pca/ + check file basic/rt64-pca/report.txt for more information + ERROR in test basic/rt64/ + check file basic/rt64/report.txt for more information + ERROR in test basic/rt65-mpi/ + check file basic/rt65-mpi/report.txt for more information + ERROR in test basic/rt65-rmsd2/ + check file basic/rt65-rmsd2/report.txt for more information + ERROR in test basic/rt66/ + check file basic/rt66/report.txt for more information + ERROR in test basic/rt66b/ + check file basic/rt66b/report.txt for more information + ERROR in test basic/rt67-mpi/ + check file basic/rt67-mpi/report.txt for more information + ERROR in test basic/rt67/ + check file basic/rt67/report.txt for more information + ERROR in test basic/rt7/ + check file basic/rt7/report.txt for more information + ERROR in test basic/rt8/ + check file basic/rt8/report.txt for more information + ERROR in test basic/rt9/ + check file basic/rt9/report.txt for more information +++++++++++++++++++++++++++++++++++++++++++++++++++++ + Final report: + 143 tests performed, 0 tests not appliable + 143 errors found + Find the bug! + To replace references, go to the test directory and + type 'make reset' +++++++++++++++++++++++++++++++++++++++++++++++++++++ scripts/what scripts/what: line 15: plumed: command not found cat: /src/*/*.cpp: No such file or directory make: Leaving directory `/builddir/build/BUILD/plumed-2.2.1/serial/regtest' + popd ~/build/BUILD/plumed-2.2.1 + exit 0 Processing files: plumed-2.2.1-2.el7.centos.x86_64 Executing(%doc): /bin/sh -e /var/tmp/rpm-tmp.6Ctdit + umask 022 + cd /builddir/build/BUILD + cd plumed-2.2.1 + DOCDIR=/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/share/doc/plumed-2.2.1 + export DOCDIR + /usr/bin/mkdir -p /builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/share/doc/plumed-2.2.1 + cp -pr serial/COPYING.LESSER /builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/share/doc/plumed-2.2.1 + cp -pr serial/CHANGES /builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/share/doc/plumed-2.2.1 + cp -pr serial/PEOPLE /builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/share/doc/plumed-2.2.1 + exit 0 Provides: libplumed.so()(64bit) libplumedKernel.so()(64bit) plumed = 2.2.1-2.el7.centos plumed(x86-64) = 2.2.1-2.el7.centos Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Requires: libc.so.6()(64bit) libc.so.6(GLIBC_2.14)(64bit) libc.so.6(GLIBC_2.17)(64bit) libc.so.6(GLIBC_2.2.5)(64bit) libc.so.6(GLIBC_2.3)(64bit) libc.so.6(GLIBC_2.3.4)(64bit) libc.so.6(GLIBC_2.4)(64bit) libdl.so.2()(64bit) libdl.so.2(GLIBC_2.2.5)(64bit) libgcc_s.so.1()(64bit) libgcc_s.so.1(GCC_3.0)(64bit) libgcc_s.so.1(GCC_4.0.0)(64bit) libgomp.so.1()(64bit) libgomp.so.1(GOMP_1.0)(64bit) libgomp.so.1(OMP_1.0)(64bit) libm.so.6()(64bit) libm.so.6(GLIBC_2.2.5)(64bit) libmatheval.so.1()(64bit) libopenblas.so.0()(64bit) libpthread.so.0()(64bit) libpthread.so.0(GLIBC_2.2.5)(64bit) libstdc++.so.6()(64bit) libstdc++.so.6(CXXABI_1.3)(64bit) libstdc++.so.6(GLIBCXX_3.4)(64bit) libstdc++.so.6(GLIBCXX_3.4.11)(64bit) libstdc++.so.6(GLIBCXX_3.4.9)(64bit) libz.so.1()(64bit) libz.so.1(ZLIB_1.2.0.2)(64bit) rtld(GNU_HASH) Processing files: plumed-devel-2.2.1-2.el7.centos.x86_64 Provides: libplumed.so()(64bit) libplumedKernel.so()(64bit) plumed-devel = 2.2.1-2.el7.centos plumed-devel(x86-64) = 2.2.1-2.el7.centos Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Requires: /bin/bash libc.so.6()(64bit) libc.so.6(GLIBC_2.14)(64bit) libc.so.6(GLIBC_2.17)(64bit) libc.so.6(GLIBC_2.2.5)(64bit) libc.so.6(GLIBC_2.3)(64bit) libc.so.6(GLIBC_2.3.4)(64bit) libc.so.6(GLIBC_2.4)(64bit) libdl.so.2()(64bit) libdl.so.2(GLIBC_2.2.5)(64bit) libgcc_s.so.1()(64bit) libgcc_s.so.1(GCC_3.0)(64bit) libgcc_s.so.1(GCC_4.0.0)(64bit) libgomp.so.1()(64bit) libgomp.so.1(GOMP_1.0)(64bit) libgomp.so.1(OMP_1.0)(64bit) libm.so.6()(64bit) libm.so.6(GLIBC_2.2.5)(64bit) libmatheval.so.1()(64bit) libopenblas.so.0()(64bit) libpthread.so.0()(64bit) libpthread.so.0(GLIBC_2.2.5)(64bit) libstdc++.so.6()(64bit) libstdc++.so.6(CXXABI_1.3)(64bit) libstdc++.so.6(GLIBCXX_3.4)(64bit) libstdc++.so.6(GLIBCXX_3.4.11)(64bit) libstdc++.so.6(GLIBCXX_3.4.9)(64bit) libz.so.1()(64bit) libz.so.1(ZLIB_1.2.0.2)(64bit) rtld(GNU_HASH) Processing files: plumed-openmpi-2.2.1-2.el7.centos.x86_64 Executing(%doc): /bin/sh -e /var/tmp/rpm-tmp.2vvReV + umask 022 + cd /builddir/build/BUILD + cd plumed-2.2.1 + DOCDIR=/builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/share/doc/plumed-openmpi-2.2.1 + export DOCDIR + /usr/bin/mkdir -p /builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/share/doc/plumed-openmpi-2.2.1 + cp -pr openmpi/COPYING.LESSER /builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/share/doc/plumed-openmpi-2.2.1 + cp -pr openmpi/CHANGES /builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/share/doc/plumed-openmpi-2.2.1 + cp -pr openmpi/PEOPLE /builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64/usr/share/doc/plumed-openmpi-2.2.1 + exit 0 Provides: libplumed.so()(64bit) libplumedKernel.so()(64bit) plumed-openmpi = 2.2.1-2.el7.centos plumed-openmpi(x86-64) = 2.2.1-2.el7.centos Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Requires: /bin/bash libc.so.6()(64bit) libc.so.6(GLIBC_2.14)(64bit) libc.so.6(GLIBC_2.17)(64bit) libc.so.6(GLIBC_2.2.5)(64bit) libc.so.6(GLIBC_2.3)(64bit) libc.so.6(GLIBC_2.3.4)(64bit) libc.so.6(GLIBC_2.4)(64bit) libdl.so.2()(64bit) libdl.so.2(GLIBC_2.2.5)(64bit) libgcc_s.so.1()(64bit) libgcc_s.so.1(GCC_3.0)(64bit) libgcc_s.so.1(GCC_4.0.0)(64bit) libgomp.so.1()(64bit) libgomp.so.1(GOMP_1.0)(64bit) libgomp.so.1(OMP_1.0)(64bit) libm.so.6()(64bit) libm.so.6(GLIBC_2.2.5)(64bit) libmatheval.so.1()(64bit) libmpi.so.12()(64bit) libmpi_cxx.so.1()(64bit) libopenblas.so.0()(64bit) libpthread.so.0()(64bit) libpthread.so.0(GLIBC_2.2.5)(64bit) libstdc++.so.6()(64bit) libstdc++.so.6(CXXABI_1.3)(64bit) libstdc++.so.6(GLIBCXX_3.4)(64bit) libstdc++.so.6(GLIBCXX_3.4.11)(64bit) libstdc++.so.6(GLIBCXX_3.4.9)(64bit) libz.so.1()(64bit) libz.so.1(ZLIB_1.2.0.2)(64bit) rtld(GNU_HASH) Processing files: plumed-openmpi-devel-2.2.1-2.el7.centos.x86_64 Provides: plumed-openmpi-devel = 2.2.1-2.el7.centos plumed-openmpi-devel(x86-64) = 2.2.1-2.el7.centos Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Requires: /bin/bash Processing files: plumed-debuginfo-2.2.1-2.el7.centos.x86_64 Provides: plumed-debuginfo = 2.2.1-2.el7.centos plumed-debuginfo(x86-64) = 2.2.1-2.el7.centos Requires(rpmlib): rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 rpmlib(CompressedFileNames) <= 3.0.4-1 Checking for unpackaged file(s): /usr/lib/rpm/check-files /builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64 Wrote: /builddir/build/RPMS/plumed-2.2.1-2.el7.centos.x86_64.rpm Wrote: /builddir/build/RPMS/plumed-devel-2.2.1-2.el7.centos.x86_64.rpm Wrote: /builddir/build/RPMS/plumed-openmpi-2.2.1-2.el7.centos.x86_64.rpm Wrote: /builddir/build/RPMS/plumed-openmpi-devel-2.2.1-2.el7.centos.x86_64.rpm Wrote: /builddir/build/RPMS/plumed-debuginfo-2.2.1-2.el7.centos.x86_64.rpm Executing(%clean): /bin/sh -e /var/tmp/rpm-tmp.QBbvxI + umask 022 + cd /builddir/build/BUILD + cd plumed-2.2.1 + /usr/bin/rm -rf /builddir/build/BUILDROOT/plumed-2.2.1-2.el7.centos.x86_64 + exit 0 Child return code was: 0