[gmx-users] Re: gmx-users Digest, Vol 13, Issue 73

[Anton Feenstra]

David wrote:
> Hard to say, check energy and density anyway.
> Which gromacs version? Is the machine out of memory?
> Are there other jobs running (run top).

Are you running out of diskspace? A full (>90%) disk can have (much!) 
lower performance.

Are you writing over NFS? I've seen exponential performance decrease in 
writing large files over NFS. Although that was with thinkg like tar or 
mkisofs, I'd expect it to hold  for mdrun as well.

-- 
Groetjes,

Anton

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|  _   _  ___,| K. Anton Feenstra                                     |
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