[gmx-users] Re: gromacs VERSION 4.0.7-There is no domain

[Christoph Junghans]

> Date: Sun, 10 Mar 2013 03:17:24 -0700 (PDT)
> From: Hamid Mosaddeghi <hamid592004m at yahoo.com>
> Subject: [gmx-users] Re: gromacs VERSION 4.0.7-There is no domain
>         decomposition.....
> To: gmx-users at gromacs.org
> Message-ID: <1362910644976-5006251.post at n6.nabble.com>
> Content-Type: text/plain; charset=us-ascii
>
> Dear Christoph
>
> thanks for quick reply
>
>>It seems like mdrun was not able to find a decomposition
>>automatically, try to give one by hand:
>>$ mdrun -dd 2 2 4
>
> this command is general or not?
No, it is not general, but you wanted to run on 16 cores, so a
decomposition of 2x2x4 (=16 and 4 in z as the box was the longest in
z) would work.
>
>>Btw, your gromacs is 2 major versions behind, it might be a good idea to
> update
>
> yes, but  I modify some force field in this versiom nad need to work with it
If this change is of general interest, create a patch and submit it here:
<https://gerrit.gromacs.org/>

>
>
> do you think I go to new version, don't get this error?
Many many things has been improved from 4.0 to 4.6, so I think it is
save to say it will most likely work.
>
> Best Regards
>
> Hamid Mosaddeghi
>
>
>
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--
Christoph Junghans
Web: http://www.compphys.de