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 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.esl...@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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