Hello,
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,
-Dave
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Received on Tue Dec 27 2011 - 09:30:03 PST
