Re: [AMBER] MPI install with openmpi

From: Jason Swails <>
Date: Sun, 6 Oct 2013 10:17:30 -0400

On Sun, Oct 6, 2013 at 9:36 AM, Makoto Chikira <>wrote:

> Dear dac,
> After installation of AmberTools13MPI, I implemented export
> DO_PARALLEL="mpirun -np 4" and make test.
> I got lots of error message as in the attached log file. A part of the
> messages are in Japanese, which you may not read, but I hope you can guess
> the meaning, comparing with other English log files.
> Anyway, my amber12 looks still not properly installed. I would appreciate
> if
> I could get another advice again.

The main problem is this:

mpiexec failed: gethostbyname_ex failed for lbcc5329.localdomain

This means that your MPI is not correctly configured to run on whatever
machine you are trying to run on. The problem here lies with your MPI
installation, not with Amber. There is probably little we can do to help
(and where we would start is by googling the error message above, which I
encourage you to do).

Good luck,

Jason M. Swails
Rutgers University
Postdoctoral Researcher
AMBER mailing list
Received on Sun Oct 06 2013 - 07:30:03 PDT
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