[AMBER] PMEMD parallelization on Ubuntu Lucid

From: David Condon <dec986.gmail.com>
Date: Tue, 27 Dec 2011 12:20:26 -0500


I am trying to make AMBER11 parallel for PMEMD production runs on my lab's
8-cpu desktop computer, following instructions on
http://ambermd.org/ubuntu.html The installation completed.

However, I am trying to run PMEMD with the following:

mpirun -np 8 pmemd -O -i md3.in -o 18.out -p prmtop -c 17.rst -r 18.rst -x
> 18.mdcrd

 as I have done successfully on other AMBER11 installations.

This time, however, I get the error:

mpiexec failed: gethostbyname_ex failed for zip.chem.rochester.edu

 I don't think this is an AMBER-specific problem but something wrong with
/etc/hosts; but I have no idea how to fix it.

What changes can I make so I run PMEMD in parallel?

thanks for your expertise,
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Received on Tue Dec 27 2011 - 09:30:03 PST
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