[gmx-users] gromacs installation (2020&2019)

[Netaly Khazanov]

Dear All,
I am trying to install gromacs 2020 and 2019 versions on CentOS release
6.10 (Final) linux system.
I passed throuht cmake compilation. Using command
cmake .. -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON -DGMX_GPU=on
-DCMAKE_INSTALL_PREFIX=gromacs2020
-DCUDA_TOOLKIT_ROOT_DIR=/usr/local/cuda-9.0 -DGMX_FFT_LIBRARY=fftw3
-DCMAKE_C_COMPILER=/opt/rh/devtoolset-6/root/usr/bin/cc
-DCMAKE_CXX_COMPILER=/opt/rh/devtoolset-6/root/usr/bin/g++
-DCUDA_HOST_COMPILER=/opt/rh/devtoolset-6/root/usr/bin/g++
I've used gcc 5 version (tried also 6 version)

However, I am struggling through make execution :
in gromacs 2019 -

[ 37%] Built target libgromacs_generated
[ 37%] Built target libgromacs_external
Scanning dependencies of target gpu_utilstest_cuda
[ 37%] Linking CXX shared library ../../../../lib/libgpu_utilstest_cuda.so
[ 37%] Built target gpu_utilstest_cuda

in gromacs 2020-
[ 27%] Built target linearalgebra
[ 27%] Built target scanner
[ 27%] Built target tng_io_obj
[ 27%] Built target modularsimulator

It just stuck on the line and doesn't continue to run.

Any suggestions will be appreciated.
Thanks in advance.


-- 
Netaly