Re: [AMBER] job suspended

From: David A Case <>
Date: Fri, 12 Aug 2016 11:11:28 -0400

On Fri, Aug 12, 2016, Albert wrote:
> I wrote all steps for Amber MD simulation in a .tcsh script. Then I
> submitted the job into the local GPU workstation by command line:
> nohup ./job.tcsh &
> However, I obtained the following messages immediately:
> nohup ./job.csh &
> [1] 13433

This is expected, and would be the message you would get from any program
that was put into the background via the "&" argument.
> No any steps is running after I submit the job.

We essentially have no information here. Be sure that if you do the same
thing for one of the test cases (e.g. in $AMBERHOME/test/cuda/dhfr/Run.dhfr)
that you get the expected output. This will help distinguish between problems
with your installation and problems with your specific inputs.

Generally, to debug, just try a very short run first, with ntpr=1. You won't
need to put such jobs in the background.


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Received on Fri Aug 12 2016 - 08:30:03 PDT
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