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Date: Wed, 06 Apr 2005 22:31:04 -0500 (CDT)
From: dimakis@utpa.edu
Subject: Nwchem 4.6 does not run on Linux Cluster using mpirun
To: nwchem-users@emsl.pnl.gov
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Hello

I am using nwchem on Linux cluster. I was able to run nwchem either as
nwchem <file name>

or mpirun -np 18 nwchem <file-name>. What I observed is that under mpirun the job is not distributed to more than one CPU and its runs at almost the same time regardless of the np parameter. The mpi is mpi-ch-p4 and it has been verified that it works under other test programs that it does distributes the jobs to all nodes.

I am using nwchem included as binary into ecce distibution.

Thank you


Nikolaos Dimakis
Assistant Professor
Physics and Geology
University of Texas-Pan American
Phone:(956) 380-8761