Subject: parallel nwchem problem

From: "Christos Garoufalis" <garoufal_at_physics.upatras.gr>
Date: Thu, 14 Oct 2004 16:23:22 +0300

Dear nwchem users

I am trying to run nwchem in parallel in a linux cluster without any success
I have installed the binary distribution which runs fine on a single 
processor.

when I try to use the parallel program (i.e. parallel nwchem test.nw)
with nwchem.p file as described in the manual, i get the error message.

Creating: host=mol, user=qchem,
           file=/home/qchem/NWCHEM/bin/nwchem, port=33133
  2: interrupt(1)

when I try to run it using mpirun (i.e. mpirun -np 8 nwchem test.nw)
the program runs but when I look into the log file I see that
it has used only one processor (nproc=1)
The mpi and ssh are configured in the linux cluster work fine with 
other programs.

Any suggestions?

Please reply directly to my email.
Thanks in advance 

Christos S. Garoufalis