Re: [AMBER] error: "STOP PMEMD terminated abnormally"

From: David A Case <>
Date: Wed, 13 Aug 2014 07:51:32 -0700

On Wed, Aug 13, 2014, Chinh Su Tran To wrote:
> I found topic *STOP PMEMD Terminated Abnormally *on the mailing list, but
> havent found the solution for my case. Could you please help take a look?
> I have run MD simulation (85ns) for my model with an interval of 5ns for
> each run.
> I got "*STOP PMEMD Terminated Abnormally*!", and the output file gave me an
> error:
> *ERROR: I could not understand line 29789*
> *-327.9383128 54.8526179-268.4522643*

Look for any '*' characters in the file. The line number reported is not
always the place where the error really occurs. Also, check the size of the
file that has a problem vs. the size of earlier files that worked OK. And, of
course, look for any clues in the mdout file from the earlier run that would
point to a problem.

Since you've had other similar problems, I'd suggest setting ntxo=2, to use
the netcdf restart format.

....good luck....dac

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Received on Wed Aug 13 2014 - 08:00:09 PDT
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