Re: [AMBER] How to read mdinfo file without crashing the simulation?

From: Hannes Loeffler <Hannes.Loeffler.stfc.ac.uk>
Date: Thu, 21 Apr 2016 11:13:49 +0100

On Thu, 21 Apr 2016 11:01:03 +0200
Karolina Markowska <markowska.kar.gmail.com> wrote:

> At line 810 of file runfiles.F90 (unit = 7, file = 'mdinfo')
> Fortran runtime error: Resource temporarily unavailable

This error message tells you that the data has not been finished
writing yet. So you obviously can't access it until it has. The pmemd
code does no guard against errors here and terminates.

The interesting question is now why the file is not ready yet. This
may be related to the setup of your system. How are you running your
jobs?

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Received on Thu Apr 21 2016 - 03:30:04 PDT
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