[gmx-users] mdrun_mpi_d

[Mahboobeh Eslami]

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 <iitdckc at gmail.com> wrote:
 
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, Pune
INDIA


On Fri, Nov 29, 2013 at 3:27 AM, Mahboobeh Eslami <mahboobeh.eslami at yahoo.com> wrote:

Hi everybody
>i install gromacs 4.6.3  double precision and parallel
>what is the best correct command for  mdrun_mpi_d on single machine with multiple processors (core=8)
>
>
>thanks for your help
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