Respected Researchers,
I have six i7 computers with 4 physical cores and each core with 2 threads and all are connected with LAN. Therefore, I want to run the GROMACS in parallel (cluster).
I have successfully mounted them using ssh, nfs and OpenMPI.
Afterwards I successfully installed GROMACS using below command.
cmake .. -DREGRESSIONTEST_DOWNLOAD=ON -DGMX_BUILD_OWN_FFTW=ON -DCMAKE_BUILD_TYPE=Release -DGMX_MPI=ON -DGMX_OPENMP=ON -DGMX_BUILD_UNITTESTS=ON -DCMAKE_C_COMPILER=mpicc -DCMAKE_CXX_COMPILER=mpicxx -DGMX_BUILD_MDRUN_ONLY=ON
Then I used "mpirun -np 12 gmx_mpi mdrun -ntomp 2 -npme 2" but it run on single computer only.
I think I am doing something wrong. Please help, I am very new in computers and commands.
Thank you