From owner-chemistry- at -ccl.net Thu Jun 14 13:24:00 2007
From: "Jozsef Csontos jozsefcsontos ~ creighton.edu" <owner-chemistry::server.ccl.net>
To: CCL
Subject: CCL: parallel nwchem
Message-Id: <-34484-070614114318-3732-dzlbczKdcG3nj5kHKhpg/Q::server.ccl.net>
X-Original-From: Jozsef Csontos <jozsefcsontos%%creighton.edu>
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Date: Thu, 14 Jun 2007 10:25:42 -0500
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Sent to CCL by: Jozsef Csontos [jozsefcsontos a creighton.edu]
Dear Savita,

as far as I can tell you there is no such compatibility problem. I'm
using parallel NWChem with 64bit nodes and the mpich implementation of
mpi. 

In order to solve your issues the best and fastest way is to post it on
the NWChem user's mailing list. Here, you can subscribe to that:
http://www.emsl.pnl.gov/docs/nwchem/nwchem.html

They'll be glad to help you. However, I'm sure that they need a more
detailed specification of your problem:)

Jozsef

On Wed, 2007-06-13 at 16:55 +0530, Savita Pundlik psavita:crlindia.com
wrote:
> Dear Sir,
> 
>             We could compile and run NWCHEM on a single node. But
> there is a problem running the code on a cluster with LINUX64 and mpi.
> It simple hangs.
> 
> Is there a compatibility problem of some kind?
> 
>  
> 
> Thanks
> 
> CRL
> 
> 
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-- 
Jozsef Csontos, Ph.D.

(jozsefcsontos_at_creighton.edu)
Department of Biomedical Sciences
Creighton University,
Omaha, NE