[gmx-users] installation of gromacs

Kim Jessica Novacek Kim.J.Novacek at campus.lmu.de
Fri Oct 2 11:04:28 CEST 2015


When I try to the install gromacs with the given commands in cmake
I get the following error message in make.
Can u please help me out?
Thanks a lot
Greetings
Kim J. Novacek

/usr/bin/ld: cannot find -lcudart
/usr/bin/ld: cannot find -lmpi
collect2: error: ld returned 1 exit status
make[2]: *** [bin/gmx_mpi] Fehler 1
make[1]: *** [src/programs/CMakeFiles/gmx.dir/all] Fehler 2
make[1]: *** Auf noch nicht beendete Prozesse wird gewartet …
/usr/bin/ld: cannot find -lcudart
/usr/bin/ld: cannot find -lmpi



cmake .. -DREGRESSIONTEST_DOWNLOAD=ON -DCMAKE_C_COMPILER=/usr/bin/gcc -DGMX_MPI=ON -DGMX_GPU=ON -DCUDA_TOOLKIT_ROOT_DIR=/usr/lib/nvidia-cuda-toolkit -DCMAKE_INSTALL_PREFIX=/usr/local/GROMACS -DGMX_FFT_LIBRARY=fftw3 -DFFTWF_LIBRARY=/usr/local/lib/libfftw3f.a -DCMAKE_BUILD_TYPE=DEBUG -DCMAKE_CXX_COMPILER=/usr/bin/gcc -DGMX_PREFER_STATIC_LIBS=ON -DCMAKE_C_FLAGS="-static" -DCMAKE_CXX_FLAGS="-static" -DCMAKE_SKIP_RPATH=YES -DCMAKE_PREFIX_PATH=/usr/lib/cuda -DCMAKE_LIBRARY_PATH=/usr/lib/x86_64-linux-gnu/libcudart.so -DCMAKE_PREFIX_PATH=/usr/include/libxml2/libxml -DCMAKE_TOOLCHAIN_FILE=Platform/XeonPhi -DCMAKE_PREFIX_PATH=/usr/bin/mpich


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