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 for your help in advance. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
