RE: AMBER: runtime error in sander?

From: Ross Walker <>
Date: Tue, 31 May 2005 10:34:51 -0700

Hi Dave,

> Hello all. I wrote a simple script to govern the simulation of about a
> dozen different systems; most of them ran fine but for a few of them I
> started getting this type of message:
> endfile: truncation failed in endfile
> apparent state: unit 6 named outfiles/ctcdcemd2.o
> lately writing sequential formatted external IO

A couple of things to check...

1) Have you gone over your quota and/or filled your disk?

2) Are you running on a 32bit machine? If yes then has any file, output,
mdcrd, mdvel, mden etc grown to larger than 2GB?

Either of these could explain the problem you are seeing. You may find you
need to run your jobs in shorter increments and then move the files off onto
another system in order to avoid these problems.

If the above two options check out then please get back to me.

All the best

|\oss Walker

| Department of Molecular Biology TPC15 |
| The Scripps Research Institute |
| Tel:- +1 858 784 8889 | EMail:- |
| | PGP Key available on request |

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Received on Tue May 31 2005 - 18:53:01 PDT
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