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.
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" (in the *body* of the email)
to majordomo_at_scripps.edu
|