Failed test during make check

User discussions
1

GROMACS version:23.4
GROMACS modification: No
Here post your question
Failed test during make check
cuda/12.4 gcc/10.5.0 openmpi/4.1.5 python/3.11.9
OS: Red hat 8, HPC cluster, nvidia gpu-02 nodes
command used
cmake … -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON -DGMX_GPU=CUDA -DGMX_MPI=on -DCMAKE_INSTALL_PREFIX=/pfs/application/gromacs-23.4-gpu -DCMAKE_C_COMPILER=/pfs/application/gcc-10.5.0/bin/gcc

Please help!

image
image904×468 11.9 KB

2

the problem is solved? how?

3

Yes, problem was solved. At the moment I have installed non MPI option as that was sufficient for time being. I am yet to try again with keeping DGMX_MPI=ON option.