[gmx-users] the CPU of REMD

Terry terrencesun at gmail.com
Thu Oct 18 09:29:53 CEST 2012

The TOTAL number of cores is specified by -np option. So it's 8 in all. By
the way, you can submit the job to see how. It'd be faster than waiting on
the list.


On Thu, Oct 18, 2012 at 3:20 PM, Albert <mailmd2011 at gmail.com> wrote:

> hello:
>   I've got a qeustion the CPU for replica exchange. it said the REMD
> should be performed by command:
> mpiexec -x -np 8 mdrun -s sd_.tpr -multi 8 -preplex 1000
> the above command have 8 different temperature and it specify 8 cores.
> Does it mean the mdrun will use 1 core (8 in all) for each subjob or 8 core
> (64 in all) for each sub job?
> thank you very much.
> Albert
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