Missing mdrun_mpi binary after compile – User discussions

GROMACS version:2022.5
GROMACS modification: Don’t think so
OS -CentOS 7.9
cmake 3.17.3
local anaconda3 for python3
CUDA 11.7

I am looking for help on what i might have missed. Gromacs compiled ok without any reported errors. I had to install openMPI and symlink it for the compiler to see it.
All the mdrun tests fail with make check test run. I’m compiling for CUDA and mpi for SLURM used the rhel devtoolset-8 for compilers. I can’t seem to find the install log to check further.

Perhaps I am missing something on the config?

cmake … -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON -DGMX_GPLUSPLUS_PATH=/opt/rh/devtoolset-8/root/usr/bin/gcc -DGMX_GPU=CUDA -DGMX_MPI=on -DCMAKE_INSTALL_PREFIX=/opt/gromacs_2023

Thanks in advance for any insight on this!


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