[gmx-users] Re: gmx-users Digest, Vol 13, Issue 73
feenstra at few.vu.nl
Thu Jun 2 11:22:08 CEST 2005
> 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!)
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.
* NOTE: New Phone & Fax numbers (below) *
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| _ _ ___,| K. Anton Feenstra |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
|( | )| | | De Boelelaan 1083 - 1081 HV Amsterdam - Netherlands |
| \_/ \_/ | | | Tel: +31 20 59 87608 - Fax: +31 20 59 87610 |
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