GROMACS version: 2021.3
GROMACS modification: Yes/No
Hi,
The options which we have used with cmake command are:
cmake … -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=OFF -DREGRESSIONTEST_PATH=/gromacs/regressiontests-2021.3 -DGMX_GPU=CUDA -DGMX_MPI=ON -DGMX_EXTERNAL_BLAS=TRUE -DGMX_GPU=CUDA -DGMX_MPI=ON
I am installing the gromacs-2021.3 on GPU with MPI and cmake is properly configured, but when we run the make command after 95 % it shows the error
collect2: error: ld returned 1 exit status make[2]: *** [api/nblib/samples/CMakeFiles/methane-water-integration.dir/build.m
what does it mean and how to resolve it? Please suggest me.