[gmx-users] nt/ntmpi/ntomp

[Mark Abraham]

Hi,

Please start with the documentation online...
http://manual.gromacs.org/documentation/2016/user-guide/mdrun-performance.html

Mark

On Sat, Oct 22, 2016 at 12:37 PM Mahmood Naderan <mahmood.nt at gmail.com>
wrote:

> Hi,
> What is the clear difference among nt, ntmpi and ntomp? I have built
> gromacs with MPI suppport. Then I run
>
> mpirun gmx_mpi mdrun
>
> Simply I want to know, is it a good idea to use 'nt' for such command? Are
> there some conflicts among them which degrade the performance? For example,
> using 'nt' for mpirun degrades the performance. Is that correct?
>
> How about ntomp?
> I read the descriptions for them, but I expect to see a table that shows
> which switch is valid/invalid for a platform.
>
>
>
> Regards,
> Mahmood
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