I have seen this before, and it is usually due to more than one instance
of amber trying to write to the same files. Check that there is only one
set of amber runs active in that directory.
Adrian
On 10/18/10 11:16 AM, Seren Soner wrote:
> Hello there,
>
> I've been using AMBER in our server for some time, and after the
> server crash a few weeks back, my output files have been acting weird.
> My computer administrator tells me nothing has been changed after the
> server crash, and the output file becomes as follows:
>
>
> NSTEP = 219965 TIME(PS) = 12939.930 TEMP(K) = 299
> NSTEP = 220080 TIME(PS) = 12940.160 TEMP(K) = 299.63 PRESS = 79.6
> Etot = -203606.8511 EKtot = 51214.7469 EPtot = -254821.5980
> BOND = 1362.7033 ANGLE = 3547.3148 DIHED = 4862.2996
> 1-4 NB = 1683.6634 1-4 EEL = 21484.6416 VDWAALS = 32232.8437
> EELEC = -319995.0644 EHBOND = 0.0000 RESTRAINT = 0.0000
> EKCMT = 23099.5614 VIRIAL = 21648.8530 VOLUME = 844163.5532
>
> Or, sometimes I may see NSTEP = 219000 information at one line, and
> then NSTEP = 218990, NSTEP = 218995, and NSTEP = 219000 again.
>
> Does anyone have any idea what may cause this problem ?
>
> _______________________________________________
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> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Dr. Adrian E. Roitberg
Associate Professor
Quantum Theory Project, Department of Chemistry
University of Florida
Senior Editor. Journal of Physical Chemistry.
on Sabbatical in Barcelona until August 2011.
Email roitberg.ufl.edu
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Received on Mon Oct 18 2010 - 04:00:04 PDT
