Re: [AMBER] Problem with sander.MPI

From: Ross Walker <ross.rosswalker.co.uk>
Date: Sun, 18 Jul 2010 02:21:16 -0700

> I have tried run sander.MPI on intel quad core under Fedora 13, using
> openmpi, but all the times I submit the job, it failed. The command
> line is
>
> ../mpirun -np 8 -hostfile hosts nohup ../sander.MPI etc. etc.
                                 ^^^^^^^
-----------------------------------|

Remove the nohup here.

If you really want to run the command with nohup then put it before the
mpirun command and make sure you redirect standard in from /dev/null. Also I
would give the full paths to everything. E.g.

nohup $AMBERHOME/bin/mpirun -np 8 -hostfile hosts $AMBERHOME/bin/sander.MPI
-O -i ...... </dev/null &

All the best
Ross


/\
\/
|\oss Walker

---------------------------------------------------------
| Assistant Research Professor |
| San Diego Supercomputer Center |
| Adjunct Assistant Professor |
| Dept. of Chemistry and Biochemistry |
| University of California San Diego |
| http://www.rosswalker.co.uk | http://www.wmd-lab.org/ |
| Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
---------------------------------------------------------

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Received on Sun Jul 18 2010 - 02:30:03 PDT
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