Re: [gmx-users] mdrun_mpi_d

Dear Eslami, Gromacs 4.6.3 can automatically take up all the cores. If you want to run gromacs across the nodes. Then you need to compile using MPI. Detailed instruction is available here http://www.gromacs.org/Documentation/Installation_Instructions. Chandan -- Chandan kumar Choudhury NCL,

Re: [gmx-users] mdrun_mpi_d

hi i installed openmpi and i set -DGMX_MPI=ON in cmake command. are these casesenough? thanks On Friday, November 29, 2013 7:59 AM, Chandan Choudhury iitd...@gmail.com wrote: Dear Eslami, Gromacs 4.6.3 can automatically  take up all the cores. If you want to run gromacs across the