AMBER Archive (2006)

Subject: RE: AMBER: MD stopped

From: Ross Walker (
Date: Mon Jun 12 2006 - 10:50:34 CDT

Dear Miguel,

> When I run the production phase of a MD, the job stopped
> without any error
> information. Please see the last steps:

Are you certain it stopped without an error message? Often the error message
is written to stderr and not the output file. Hence if you just ran the job
in background it could be written to the terminal rather than the output

How are you running the calculation? Is it a serial or a parallel job? Are
you submitting the job via a batch scheduling system? If it is through some
kind of batch scheduler like PBS then an error message would likely get
written to the error file associated with the job submission ID. Could you
simply be running out of wallclock time?

To answer anything more definitively we will need much more detailed
information regarding how you are running the job, system specs etc.

All the best

|\oss Walker

| HPC Consultant and Staff Scientist |
| San Diego Supercomputer Center |
| Tel: +1 858 822 0854 | EMail:- |
| | PGP Key available on request |

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