Re: AMBER7 on linux cluster

From: Carlos Simmerling <>
Date: Tue, 17 Jun 2003 12:54:28 -0400

can you run a non-MPI job on the cluster?
if so, does it work ok or also dies?

are you using a batch scheduler? if so, sometimes
the error messages may go into an output file
created by the scheduler. run it interactively and
you get errors messages and also you can be sure
your working directory is correct, with schedulers
you need to set it.

----- Original Message -----
From: "Venkata S Koppuravuri" <>
To: <>
Sent: Tuesday, June 17, 2003 12:49 PM
Subject: AMBER7 on linux cluster

> Hi,
> I am a new user of AMBER7 on a LINUX cluster. When I tried to give a
> simple equilibrating job to the cluster using 4 nodes and 2 pps on each
> node I got the following error message
> ------------------------------------
> mpiexec: Warning: main: task 4 died with signal 15.
> mpiexec: Warning: main: task 5 died with signal 15.
> ------------------------------------
> All the output files are empty.
> Can anyone help me what the problem could be.
> (I did the minimization on an SGI machine using Amber5. i then transfered
> the output files to the cluster and tried to do equilibration. Cluster
> uses AMBER7 . Hope this does not create a problem).
> Regards
> -Venkat
Received on Tue Jun 17 2003 - 18:53:00 PDT
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