By looking at the output of the cmake process, the Boost libraries were found. Only during the make command the error appears. I will try to do cmake again by manually specifying the boost_root and see if it works. Also I did do make VERBOSE=1, here is the output:
/mnt/a/sw/xe/cmake/3.9.4/sles11.3_gnu4.9.3/bin/cmake -H/u/sciteam/motevase/application/install/votca -B/u/sciteam/motevase/application/install/votca/build --check-build-system CMakeFiles/Makefile.cmake 0 /mnt/a/sw/xe/cmake/3.9.4/sles11.3_gnu4.9.3/bin/cmake -E cmake_progress_start /u/sciteam/motevase/application/install/votca/build/CMakeFiles /u/sciteam/motevase/application/install/votca/build/CMakeFiles/progress.marks make -f CMakeFiles/Makefile2 all make[1]: Entering directory `/mnt/a/u/sciteam/motevase/application/install/votca/build' make -f ctp/src/libkmc/CMakeFiles/gitversion-kmc.dir/build.make ctp/src/libkmc/CMakeFiles/gitversion-kmc.dir/depend make[2]: Entering directory `/mnt/a/u/sciteam/motevase/application/install/votca/build' cd /u/sciteam/motevase/application/install/votca/build && /mnt/a/sw/xe/cmake/3.9.4/sles11.3_gnu4.9.3/bin/cmake -E cmake_depends "Unix Makefiles" /u/sciteam/motevase/application/install/votca /u/sciteam/motevase/application/install/votca/ctp/src/libkmc /u/sciteam/motevase/application/install/votca/build /u/sciteam/motevase/application/install/votca/build/ctp/src/libkmc /u/sciteam/motevase/application/install/votca/build/ctp/src/libkmc/CMakeFiles/gitversion-kmc.dir/DependInfo.cmake --color= make[2]: Leaving directory `/mnt/a/u/sciteam/motevase/application/install/votca/build' make -f ctp/src/libkmc/CMakeFiles/gitversion-kmc.dir/build.make ctp/src/libkmc/CMakeFiles/gitversion-kmc.dir/build make[2]: Entering directory `/mnt/a/u/sciteam/motevase/application/install/votca/build' cd /u/sciteam/motevase/application/install/votca/build/ctp/src/libkmc && /mnt/a/sw/xe/cmake/3.9.4/sles11.3_gnu4.9.3/bin/cmake -DTOP_SOURCE_DIR="/u/sciteam/motevase/application/install/votca" -DGIT_EXECUTABLE="/sw/EasyBuild/software/git/2.17.0/bin/git" -P /u/sciteam/motevase/application/install/votca/ctp/CMakeModules/gitversion.cmake Current git revision is b2da0c7 make[2]: Leaving directory `/mnt/a/u/sciteam/motevase/application/install/votca/build' [ 0%] Built target gitversion-kmc make -f tools/src/libtools/CMakeFiles/gitversion.dir/build.make tools/src/libtools/CMakeFiles/gitversion.dir/depend make[2]: Entering directory `/mnt/a/u/sciteam/motevase/application/install/votca/build' cd /u/sciteam/motevase/application/install/votca/build && /mnt/a/sw/xe/cmake/3.9.4/sles11.3_gnu4.9.3/bin/cmake -E cmake_depends "Unix Makefiles" /u/sciteam/motevase/application/install/votca /u/sciteam/motevase/application/install/votca/tools/src/libtools /u/sciteam/motevase/application/install/votca/build /u/sciteam/motevase/application/install/votca/build/tools/src/libtools /u/sciteam/motevase/application/install/votca/build/tools/src/libtools/CMakeFiles/gitversion.dir/DependInfo.cmake --color= make[2]: Leaving directory `/mnt/a/u/sciteam/motevase/application/install/votca/build' make -f tools/src/libtools/CMakeFiles/gitversion.dir/build.make tools/src/libtools/CMakeFiles/gitversion.dir/build make[2]: Entering directory `/mnt/a/u/sciteam/motevase/application/install/votca/build' cd /u/sciteam/motevase/application/install/votca/build/tools/src/libtools && /mnt/a/sw/xe/cmake/3.9.4/sles11.3_gnu4.9.3/bin/cmake -DTOP_SOURCE_DIR="/u/sciteam/motevase/application/install/votca" -DGIT_EXECUTABLE="/sw/EasyBuild/software/git/2.17.0/bin/git" -DMERCURIAL_EXECUTABLE="" -P /u/sciteam/motevase/application/install/votca/tools/CMakeModules/gitversion.cmake Current git revision is b2da0c7 make[2]: Leaving directory `/mnt/a/u/sciteam/motevase/application/install/votca/build' [ 0%] Built target gitversion make -f tools/src/libtools/CMakeFiles/votca_tools.dir/build.make tools/src/libtools/CMakeFiles/votca_tools.dir/depend make[2]: Entering directory `/mnt/a/u/sciteam/motevase/application/install/votca/build' cd /u/sciteam/motevase/application/install/votca/build && /mnt/a/sw/xe/cmake/3.9.4/sles11.3_gnu4.9.3/bin/cmake -E cmake_depends "Unix Makefiles" /u/sciteam/motevase/application/install/votca /u/sciteam/motevase/application/install/votca/tools/src/libtools /u/sciteam/motevase/application/install/votca/build /u/sciteam/motevase/application/install/votca/build/tools/src/libtools /u/sciteam/motevase/application/install/votca/build/tools/src/libtools/CMakeFiles/votca_tools.dir/DependInfo.cmake --color= make[2]: Leaving directory `/mnt/a/u/sciteam/motevase/application/install/votca/build' make -f tools/src/libtools/CMakeFiles/votca_tools.dir/build.make tools/src/libtools/CMakeFiles/votca_tools.dir/build make[2]: Entering directory `/mnt/a/u/sciteam/motevase/application/install/votca/build' [ 1%] Linking CXX shared library libvotca_tools.so cd /u/sciteam/motevase/application/install/votca/build/tools/src/libtools && /mnt/a/sw/xe/cmake/3.9.4/sles11.3_gnu4.9.3/bin/cmake -E cmake_link_script CMakeFiles/votca_tools.dir/link.txt --verbose=1 /opt/cray/craype/2.5.8/bin/CC -O3 -DNDEBUG -shared -Wl,-soname,libvotca_tools.so.6 -o libvotca_tools.so.6 CMakeFiles/votca_tools.dir/akimaspline.cc.o CMakeFiles/votca_tools.dir/application.cc.o CMakeFiles/votca_tools.dir/colors.cc.o CMakeFiles/votca_tools.dir/correlate.cc.o CMakeFiles/votca_tools.dir/crosscorrelate.cc.o CMakeFiles/votca_tools.dir/cubicspline.cc.o CMakeFiles/votca_tools.dir/datacollection.cc.o CMakeFiles/votca_tools.dir/edge.cc.o CMakeFiles/votca_tools.dir/edgecontainer.cc.o CMakeFiles/votca_tools.dir/elements.cc.o CMakeFiles/votca_tools.dir/globals.cc.o CMakeFiles/votca_tools.dir/graph.cc.o CMakeFiles/votca_tools.dir/graph_bf_visitor.cc.o CMakeFiles/votca_tools.dir/graph_df_visitor.cc.o CMakeFiles/votca_tools.dir/graphalgorithm.cc.o CMakeFiles/votca_tools.dir/graphdistvisitor.cc.o CMakeFiles/votca_tools.dir/graphnode.cc.o CMakeFiles/votca_tools.dir/graphvisitor.cc.o CMakeFiles/votca_tools.dir/histogram.cc.o CMakeFiles/votca_tools.dir/histogramnew.cc.o CMakeFiles/votca_tools.dir/linalg.cc.o CMakeFiles/votca_tools.dir/linspline.cc.o CMakeFiles/votca_tools.dir/matrix.cc.o CMakeFiles/votca_tools.dir/mutex.cc.o CMakeFiles/votca_tools.dir/parcer.cc.o CMakeFiles/votca_tools.dir/parsexml.cc.o CMakeFiles/votca_tools.dir/property.cc.o CMakeFiles/votca_tools.dir/propertyiomanipulator.cc.o CMakeFiles/votca_tools.dir/random2.cc.o CMakeFiles/votca_tools.dir/rangeparser.cc.o CMakeFiles/votca_tools.dir/reducededge.cc.o CMakeFiles/votca_tools.dir/reducedgraph.cc.o CMakeFiles/votca_tools.dir/spline.cc.o CMakeFiles/votca_tools.dir/table.cc.o CMakeFiles/votca_tools.dir/thread.cc.o CMakeFiles/votca_tools.dir/tokenizer.cc.o CMakeFiles/votca_tools.dir/version.cc.o CMakeFiles/votca_tools.dir/database.cc.o CMakeFiles/votca_tools.dir/statement.cc.o -lboost_program_options -lboost_filesystem -lboost_system -lmkl_rt /opt/intel/compilers_and_libraries_2018.3.222/linux/compiler/lib/intel64/libiomp5.so /opt/intel/compilers_and_libraries_2018.3.222/linux/compiler/lib/intel64/libimf.so -lsqlite3 -lfftw3f -lexpat -lm /usr/bin/ld: cannot find -lboost_program_options /usr/bin/ld: cannot find -lboost_filesystem /usr/bin/ld: cannot find -lboost_system /usr/bin/ld: cannot find -lmkl_rt /usr/bin/sha1sum: libvotca_tools.so.6: No such file or directory collect2: error: ld returned 1 exit status make[2]: *** [tools/src/libtools/libvotca_tools.so.6] Error 1 make[2]: Leaving directory `/mnt/a/u/sciteam/motevase/application/install/votca/build' make[1]: *** [tools/src/libtools/CMakeFiles/votca_tools.dir/all] Error 2 make[1]: Leaving directory `/mnt/a/u/sciteam/motevase/application/install/votca/build' make: *** [all] Error 2 Regards, Hossein On Sunday, March 31, 2019 at 5:59:04 PM UTC-5, Christoph Junghans wrote: > > On Sun, Mar 31, 2019 at 4:30 PM Mohammad Motevaselian > <[email protected] <javascript:>> wrote: > > > > So with > -DGROMACS_INCLUDE_DIR=/u/sciteam/motevase/application/gromacs-2019.1/include/ > cmake is able to find the gromacs version, so that is good. > > But it gives error for not finding LIB_XTP and the XTP related stuff. I > turned the flag off by using -DBUILD_XTP=OFF and the configuration is done. > But when I do make -j 12, the following error pops up: > > [ 0%] Built target gitversion > > [ 0%] Built target gitversion-kmc > > [ 0%] Built target gitversion-moo > > [ 0%] Built target gitversion-ctp > > [ 0%] Built target gitversion-csg > > [ 0%] Built target csg_inverse_build > > [ 1%] Built target votca_compare_build > > [ 1%] Built target votca_tools_manpages > > [ 1%] Built target csg_call_build > > Current git revision is b2da0c7 > > Current git revision is b2da0c7 > > [ 1%] Built target ctp_update > > [ 1%] Built target ctp_testsuite > > [ 2%] Linking CXX shared library libvotca_tools.so > > /usr/bin/ld: cannot find -lboost_program_options > > /usr/bin/ld: cannot find -lboost_filesystem > > /usr/bin/ld: cannot find -lboost_system > > /usr/bin/ld: cannot find -lmkl_rt > > /usr/bin/sha1sum: libvotca_tools.so.6: No such file or directory > > collect2: error: ld returned 1 exit status > > make[2]: *** [tools/src/libtools/libvotca_tools.so.6] Error 1 > > make[1]: *** [tools/src/libtools/CMakeFiles/votca_tools.dir/all] Error 2 > > make: *** [all] Error 2 > > > > I have already specified an installation path for CMAKE via ${prefix} > variable. Is it trying to install VOTCA in /usr/bin ? > This has nothing to do with the prefix, that is only used during "make > install". > > For relevant error is: > > /usr/bin/ld: cannot find -lboost_program_options > > /usr/bin/ld: cannot find -lboost_filesystem > > /usr/bin/ld: cannot find -lboost_system > > /usr/bin/ld: cannot find -lmkl_rt > which means the linker (/usr/bin/ld) was not able to find your boost > libraries. > > You can run "make VERBOSE=1" to see what command actually triggers the > issue. > > Christoph > > > > > Regards, > > Hossein > > > > > > > > On Sunday, March 31, 2019 at 5:07:02 PM UTC-5, Christoph Junghans wrote: > >> > >> I looked at the original error message again > >> Could NOT find GROMACS: Found unsuitable version "0", but required is > at > >> least "20160000" (found > >> > /u/sciteam/motevase/application/gromacs-2019.1/lib64/libgromacs_mpi.so) > >> > >> It seems the gromacs version could not be detected correctly? > >> Can you try > -DGROMACS_INCLUDE_DIR=/u/sciteam/motevase/application/gromacs-2019.1/include > > >> (with the /gromacs at the end)? > >> > >> Christoph > >> > >> On Sun, Mar 31, 2019 at 3:21 PM Mohammad Motevaselian > >> <[email protected]> wrote: > >> > > >> > Thank for your prompt response. When I looked at the Blue Water's > compiling page (https://bluewaters.ncsa.illinois.edu/compiling), they > >> > mentioned " ... do NOT use mpicc (for instance) to compile MPI codes, > the cc or CC wrapper already contains the proper compiler and library > invocations." > >> > That's why I have the follwoing in my installation script: > >> > export CC=cc > >> > export CXX=CC > >> > > >> > I have also looked at the CMakeError.log, but I can't figured out > what's the problem. Below is the CMakeError.log content. > >> > Any ideas how to fix the error? > >> > > >> > Performing C SOURCE FILE Test HAVE_AIX failed with the following > output: > >> > Change Dir: > /u/sciteam/motevase/application/install/votca/build/CMakeFiles/CMakeTmp > >> > > >> > Run Build Command:"/usr/bin/gmake" "cmTC_f612b/fast" > >> > /usr/bin/gmake -f CMakeFiles/cmTC_f612b.dir/build.make > CMakeFiles/cmTC_f612b.dir/build > >> > gmake[1]: Entering directory > `/mnt/a/u/sciteam/motevase/application/install/votca/build/CMakeFiles/CMakeTmp' > > > >> > Building C object CMakeFiles/cmTC_f612b.dir/src.c.o > >> > /opt/cray/craype/2.5.8/bin/cc -DHAVE_AIX -o > CMakeFiles/cmTC_f612b.dir/src.c.o -c > /u/sciteam/motevase/application/install/votca/build/CMakeFiles/CMakeTmp/src.c > > >> > > /u/sciteam/motevase/application/install/votca/build/CMakeFiles/CMakeTmp/src.c: > > In function 'main': > >> > > /u/sciteam/motevase/application/install/votca/build/CMakeFiles/CMakeTmp/src.c:3:8: > > error: #error > >> > #error > >> > ^ > >> > gmake[1]: *** [CMakeFiles/cmTC_f612b.dir/src.c.o] Error 1 > >> > gmake[1]: Leaving directory > `/mnt/a/u/sciteam/motevase/application/install/votca/build/CMakeFiles/CMakeTmp' > > > >> > gmake: *** [cmTC_f612b/fast] Error 2 > >> > > >> > Source file was: > >> > int main(void) { > >> > #ifndef _AIX > >> > #error > >> > #endif > >> > return 0; > >> > } > >> > Determining if the function gmx_is_double_precision exists in the > /u/sciteam/motevase/application/gromacs-2019.1/lib64/libgromacs_mpi.so > failed with the following output: > >> > Change Dir: > /u/sciteam/motevase/application/install/votca/build/CMakeFiles/CMakeTmp > >> > > >> > Run Build Command:"/usr/bin/gmake" "cmTC_7fa2f/fast" > >> > /usr/bin/gmake -f CMakeFiles/cmTC_7fa2f.dir/build.make > CMakeFiles/cmTC_7fa2f.dir/build > >> > gmake[1]: Entering directory > `/mnt/a/u/sciteam/motevase/application/install/votca/build/CMakeFiles/CMakeTmp' > > > >> > Building CXX object > CMakeFiles/cmTC_7fa2f.dir/CheckFunctionExists.cpp.o > >> > /opt/cray/craype/2.5.8/bin/CC > -DCHECK_FUNCTION_EXISTS=gmx_is_double_precision -o > CMakeFiles/cmTC_7fa2f.dir/CheckFunctionExists.cpp.o -c > /u/sciteam/motevase/application/install/votca/csg/CMakeModules/CheckFunctionExists.cpp > > > >> > Linking CXX executable cmTC_7fa2f > >> > /mnt/a/sw/xe/cmake/3.9.4/sles11.3_gnu4.9.3/bin/cmake -E > cmake_link_script CMakeFiles/cmTC_7fa2f.dir/link.txt --verbose=1 > >> > /opt/cray/craype/2.5.8/bin/CC > -DCHECK_FUNCTION_EXISTS=gmx_is_double_precision -dynamic > CMakeFiles/cmTC_7fa2f.dir/CheckFunctionExists.cpp.o -o cmTC_7fa2f > -Wl,-rpath,/u/sciteam/motevase/application/gromacs-2019.1/lib64 > /u/sciteam/motevase/application/gromacs-2019.1/lib64/libgromacs_mpi.so > >> > CMakeFiles/cmTC_7fa2f.dir/CheckFunctionExists.cpp.o: In function > `main': > >> > CheckFunctionExists.cpp:(.text+0x10): undefined reference to > `gmx_is_double_precision()' > >> > /usr/bin/ld: link errors found, deleting executable `cmTC_7fa2f' > >> > /usr/bin/sha1sum: cmTC_7fa2f: No such file or directory > >> > collect2: error: ld returned 1 exit status > >> > gmake[1]: *** [cmTC_7fa2f] Error 1 > >> > gmake[1]: Leaving directory > `/mnt/a/u/sciteam/motevase/application/install/votca/build/CMakeFiles/CMakeTmp' > > > >> > gmake: *** [cmTC_7fa2f/fast] Error 2 > >> > > >> > Thanks again. > >> > Hossein > >> > > >> > > >> > On Sunday, March 31, 2019 at 4:06:09 PM UTC-5, Christoph Junghans > wrote: > >> >> > >> >> > >> >> > >> >> On Sun, Mar 31, 2019 at 14:57 Mohammad Motevaselian < > [email protected]> wrote: > >> >>> > >> >>> Hi, > >> >>> > >> >>> I am trying to install VOTCA software on Blue waters cluster. Below > is my installation script: > >> >>> > >> >>> module swap PrgEnv-cray PrgEnv-gnu > >> >>> module add cmake/3.9.4 > >> >>> module add fftw > >> >>> module add boost/1.63.0 > >> >>> module add intel/18.0.3.222 > >> >>> module add cblas > >> >>> export CRAYPE_LINK_TYPE=dynamic > >> >>> export CRAY_ADD_RPATH=yes > >> >>> export CC=cc > >> >>> export CXX=CC > >> >>> export FC=ftn > >> >>> > >> >>> prefix=/u/sciteam/motevase/application/install/votca-master/ > >> >>> version=master > >> >>> git clone -b ${version} --recursive > https://github.com/votca/votca.git > >> >>> cd votca > >> >>> mkdir build > >> >>> cd build > >> >>> > path_eigen3=/u/sciteam/motevase/application/eigen3.3.7/include/eigen3 > >> >>> cmake -DBUILD_CSGAPPS=ON -DBUILD_CTP=ON -DBUILD_XTP=ON > -DEIGEN3_INCLUDE_DIR=${path_eigen3} -DFFTW3_INCLUDE_DIR=$FFTW_INC > -DFFTW3_LIBRARY=$FFTW_DIR/libfftw3f.so > > -DGROMACS_LIBRARY=/u/sciteam/motevase/application/gromacs-2019.1/lib64/libgromacs_mpi.so > > -DGROMACS_INCLUDE_DIR=/u/sciteam/motevase/application/gromacs-2019.1/include/gromacs > > -DCMAKE_INSTALL_PREFIX=${prefix} .. > >> >>> > >> >>> > >> >>> But I am getting the following error: > >> >>> > >> >>> Fault line: DOTFILE_DIRS = > >> >>> Call Stack (most recent call first): > >> >>> tools/share/doc/CMakeLists.txt:1 (find_package) > >> >>> This warning is for project developers. Use -Wno-dev to suppress > it. > >> >>> > >> >>> -- Could NOT find TXT2TAGS (missing: TXT2TAGS_EXECUTABLE) > >> >>> txt2tags not found, help cmake to find it by setting > TXT2TAGS_EXECUTABLE > >> >>> -- Boost version: 1.63.0 > >> >>> -- Found the following Boost libraries: > >> >>> -- program_options > >> >>> -- filesystem > >> >>> -- system > >> >>> -- Checking for module 'libvotca_tools' > >> >>> -- Package 'fftw3', required by 'libvotca_tools', not found > >> >>> -- Intel(R) MKL was found: > >> >>> MKL_INCLUDE_DIRS: > /opt/intel/compilers_and_libraries_2018.3.222/linux/mkl/include > >> >>> MKL_LIBRARY_DIRS: > /opt/intel/compilers_and_libraries_2018.3.222/linux/mkl/lib/intel64;/opt/intel/compilers_and_libraries_2018.3.222/linux/compiler/lib/intel64 > > > >> >>> MKL_LIBRARIES: > /opt/intel/compilers_and_libraries_2018.3.222/linux/mkl/lib/intel64/libmkl_rt.so;/opt/intel/compilers_and_libraries_2018.3.222/linux/compiler/lib/intel64/libiomp5.so;/opt/intel/compilers_and_libraries_2018.3.222/linux/compiler/lib/intel64/libimf.so > > > >> >>> -- Checking for module 'sqlite3' > >> >>> -- Found sqlite3, version 3.7.6.3 > >> >>> -- Checking for module 'libgromacs_d' > >> >>> -- No package 'libgromacs_d' found > >> >>> -- Checking for module 'libgromacs' > >> >>> -- No package 'libgromacs' found > >> >>> CMake Error at > /mnt/a/sw/xe/cmake/3.9.4/sles11.3_gnu4.9.3/share/cmake-3.9/Modules/FindPackageHandleStandardArgs.cmake:137 > > (message): > >> >>> Could NOT find GROMACS: Found unsuitable version "0", but > required is at > >> >>> least "20160000" (found > >> >>> > /u/sciteam/motevase/application/gromacs-2019.1/lib64/libgromacs_mpi.so) > >> >>> Call Stack (most recent call first): > >> >>> > /mnt/a/sw/xe/cmake/3.9.4/sles11.3_gnu4.9.3/share/cmake-3.9/Modules/FindPackageHandleStandardArgs.cmake:375 > > (_FPHSA_FAILURE_MESSAGE) > >> >>> csg/CMakeModules/FindGROMACS.cmake:76 > (find_package_handle_standard_args) > >> >>> csg/CMakeLists.txt:85 (find_package) > >> >>> > >> >>> > >> >>> -- Configuring incomplete, errors occurred! > >> >>> See also > "/u/sciteam/motevase/application/install/votca/build/CMakeFiles/CMakeOutput.log". > > > >> >>> See also > "/u/sciteam/motevase/application/install/votca/build/CMakeFiles/CMakeError.log". > > > >> >>> > >> >>> It seems the error is due to the version of gromacs, but I am using > Gromacs 2019.1. > >> >>> I would appreciate you help on this. > >> >> > >> >> > >> >> > >> >> You should have a look at your CMakeError.log, but my guess is that > if you want to use an mpi-enable libgromacs you need to use an mpi > compiler. > >> >> > >> >> I would recommend using a serial libgromacs. > >> >> > >> >> Christoph > >> >>> > >> >>> > >> >>> Sincerely, > >> >>> Hossein > >> >>> > >> >>> -- > >> >>> You received this message because you are subscribed to the Google > Groups "votca" group. > >> >>> To unsubscribe from this group and stop receiving emails from it, > send an email to [email protected]. > >> >>> To post to this group, send email to [email protected]. > >> >>> Visit this group at https://groups.google.com/group/votca. > >> >>> For more options, visit https://groups.google.com/d/optout. > >> >> > >> >> -- > >> >> Christoph Junghans > >> >> Web: http://www.compphys.de > >> > > >> > -- > >> > You received this message because you are subscribed to the Google > Groups "votca" group. > >> > To unsubscribe from this group and stop receiving emails from it, > send an email to [email protected]. > >> > To post to this group, send email to [email protected]. > >> > Visit this group at https://groups.google.com/group/votca. > >> > For more options, visit https://groups.google.com/d/optout. > >> > >> > >> > >> -- > >> Christoph Junghans > >> Web: http://www.compphys.de > > > > -- > > You received this message because you are subscribed to the Google > Groups "votca" group. > > To unsubscribe from this group and stop receiving emails from it, send > an email to [email protected] <javascript:>. > > To post to this group, send email to [email protected] > <javascript:>. > > Visit this group at https://groups.google.com/group/votca. > > For more options, visit https://groups.google.com/d/optout. > > > > -- > Christoph Junghans > Web: http://www.compphys.de > -- You received this message because you are subscribed to the Google Groups "votca" group. To unsubscribe from this group and stop receiving emails from it, send an email to [email protected]. To post to this group, send email to [email protected]. Visit this group at https://groups.google.com/group/votca. For more options, visit https://groups.google.com/d/optout.
