Re: [AMBER] troubleshooting

From: Jason Swails <>
Date: Wed, 13 May 2015 15:41:26 -0400

On Wed, May 13, 2015 at 3:28 PM, George Tzotzos <> wrote:

> Thanks Jason,
> No, I’m not using serial. I recompiled the whole lot.
> now runs properly. I’ve already run it successfully once
> after generating prmtop files via (see the 1st sentence of
> my email below).
> That’s why I’m in the dark now.

​But your email said you were running:

mpirun -np 12 ...

Even if you got the parallel install of working, you're not using
the MPI version in the above command. You're just running 12 copies of the
serial version that collide with each other...

Jason M. Swails
Rutgers University
Postdoctoral Researcher
AMBER mailing list
Received on Wed May 13 2015 - 13:00:03 PDT
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