AMBER Archive (2008)

Subject: Re: AMBER: scyld beowulf --amber10--openmpi

From: Gustavo Seabra (gustavo.seabra_at_gmail.com)
Date: Mon Oct 20 2008 - 21:56:35 CDT

On Mon, Oct 20, 2008 at 9:46 PM, Rima Chaudhuri wrote:
> hey,
> I set it to export DO_PARALLEL='mpirun -no_local=1 -np=4'
>>> export TESTsander=/home/rchaud/Amber10_openmpi/amber10/exe/sander.MPI;

^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^

In this case, are you sure this executable exists and is visible from
all nodes? Depending on your configuration, you might need to log in
into each node independently and check if you can see the executable.

Gustavo.
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