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.
...dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Aug 12 2016 - 08:30:03 PDT
