Hi Christoph: This is my CMakeEroor.log file :
Determining if the function GromacsVersion exists in the /gpfs/home/lsd001/gromacs/lib/libgmx_mpi_d.so; failed with the following output: Change Dir: /gpfs/home/lsd001/votca_csg/src/csg/CMakeFiles/CMakeTmp Run Build Command:/usr/bin/gmake "cmTryCompileExec3300959071/fast" /usr/bin/gmake -f CMakeFiles/cmTryCompileExec3300959071.dir/build.make CMakeFiles/cmTryCompileExec3300959071.dir/build gmake[1]: Entering directory `/gpfs/home/lsd001/votca_csg/src/csg/CMakeFiles/CMakeTmp' /usr/local/bin/cmake -E cmake_progress_report /gpfs/home/lsd001/votca_csg/src/csg/CMakeFiles/CMakeTmp/CMakeFiles 1 Building C object CMakeFiles/cmTryCompileExec3300959071.dir/CheckFunctionExists.c.o /usr/bin/cc -DCHECK_FUNCTION_EXISTS=GromacsVersion -o CMakeFiles/cmTryCompileExec3300959071.dir/CheckFunctionExists.c.o -c /usr/local/share/cmake-2.8/Modules/CheckFunctionExists.c Linking C executable cmTryCompileExec3300959071 /usr/local/bin/cmake -E cmake_link_script CMakeFiles/cmTryCompileExec3300959071.dir/link.txt --verbose=1 /usr/bin/cc -DCHECK_FUNCTION_EXISTS=GromacsVersion CMakeFiles/cmTryCompileExec3300959071.dir/CheckFunctionExists.c.o -o cmTryCompileExec3300959071 -rdynamic /gpfs/home/lsd001/gromacs/lib/libgmx_mpi_d.so -Wl,-rpath,/gpfs/home/lsd001/gromacs/lib /gpfs/hpc/intel/Compiler/11.1/064/lib/intel64/libimf.so: warning: warning: feupdateenv is not implemented and will always fail /gpfs/hpc/intel/mkl/10.2.3.029/lib/em64t/libguide.so: undefined reference to `pthread_atfork' collect2: ld returned 1 exit status gmake[1]: *** [cmTryCompileExec3300959071] Error 1 gmake[1]: Leaving directory `/gpfs/home/lsd001/votca_csg/src/csg/CMakeFiles/CMakeTmp' gmake: *** [cmTryCompileExec3300959071/fast] Error 2 在 2013年11月15日星期五UTC+8上午12时11分54秒，Christoph Junghans写道： > > 2013/11/14 郭志成 <[email protected] <javascript:>>: > > Hi: > > > > I get the error message as described below using build.sh to install > > votca_csg on cluster. > > -- checking for module 'libgmx' > > > > -- package 'libgmx' not found > > > > -- Looking for GromacsVersion in > > /gpfs/home/lsd001/gromacs/lib/libgmx_mpi_d.so; > > > > -- Looking for GromacsVersion in > > /gpfs/home/lsd001/gromacs/lib/libgmx_mpi_d.so; - not found > > > > CMake Error at CMakeModules/FindGROMACS.cmake:81 (message): > > > > Could not find GromacsVersion in > > > > /gpfs/home/lsd001/gromacs/lib/libgmx_mpi_d.so;, take look at the error > > > > message in > /gpfs/home/lsd001/votca_csg/src/csg/CMakeFiles/CMakeError.log > > to > Can you have a look in the CMakeError.log and post the last 50 lines? > > Christoph > > > > > find out what was going wrong. If you don't have pkg-config installed > you > > > > will most likely have to set GROMACS_LIBRARY and GROMACS_DEP_LIBRARY > by > > > > hand which sets the gromacs lib and it's depencies (i.e. > > > > -DGROMACS_LIBRARY='/path/to/libgmx.so' > > > > -DGROMACS_DEP_LIBRARIES='/path/to/libblas.so;/path/to/libm.so') ! > > > > Call Stack (most recent call first): > > > > src/libcsg/CMakeLists.txt:23 (find_package) > > > > I have specified the information about GROMACS: > > > > > > > > -DGROMACS_INCLUDE_DIR=/gpfs/home/lsd001/gromacs/include > > > > -DGROMACS_LIBRARY=/gpfs/home/lsd001/gromacs/lib/libgmx_mpi_d.so > > > > > -DGROMACS_DEP_LIBARIES="/gpfs/home/lsd001/gsl-1.16/lib/libgslcblas.so;/gpfs/home/lsd001/gsl-1.16/lib/libgsl.so" > > > > > > > > > > Detailed infromation about GROMACS described below: > > > > > > > > Gromacs version: VERSION 4.6.3 > > > > Precision: double > > > > Memory model: 64 bit > > > > MPI library: MPI > > > > OpenMP support: disabled > > > > GPU support: disabled > > > > invsqrt routine: gmx_software_invsqrt(x) > > > > CPU acceleration: SSE2 > > > > FFT library: fftw-3.3.3-sse2 > > > > Large file support: enabled > > > > RDTSCP usage: enabled > > > > Built on: Mon Oct 28 15:45:17 CST 2013 > > > > Built by: lsd001@lnode [CMAKE] > > > > Build OS/arch: Linux 2.6.16.60-0.54.5-smp x86_64 > > > > Build CPU vendor: GenuineIntel > > > > Build CPU brand: Intel(R) Xeon(R) CPU E5630 @ 2.53GHz > > > > Build CPU family: 6 Model: 44 Stepping: 2 > > > > Build CPU features: apic clfsh cmov cx8 cx16 htt lahf_lm mmx msr > nonstop_tsc > > pcid pdcm pdpe1gb popcnt pse rdtscp sse2 sse3 sse4.1 sse4.2 ssse3 > > > > C compiler: /usr/bin/cc GNU cc (GCC) 4.1.2 20070115 (SUSE Linux) > > > > C compiler flags: -msse2 -Wextra -Wno-missing-field-initializers > > -Wno-sign-compare -Wall -Wno-unused -Wunus > > > > > > > > What's wrong with this? How can I fix it? > > > > > > -- > > 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 http://groups.google.com/group/votca. > > For more options, visit https://groups.google.com/groups/opt_out. > > > > -- > 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 http://groups.google.com/group/votca. For more options, visit https://groups.google.com/groups/opt_out.
