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

This is a multi-part message in MIME format.

------=_NextPart_000_002B_01C4B20A.1F8ABE60
Content-Type: text/plain;
	charset="iso-8859-7"
Content-Transfer-Encoding: quoted-printable

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=20
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=3Dmol, user=3Dqchem,
           file=3D/home/qchem/NWCHEM/bin/nwchem, port=3D33133
  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=3D1)
The mpi and ssh are configured in the linux cluster work fine with=20
other programs.

Any suggestions?

Please reply directly to my email.
Thanks in advance=20

Christos S. Garoufalis

------=_NextPart_000_002B_01C4B20A.1F8ABE60
Content-Type: text/html;
	charset="iso-8859-7"
Content-Transfer-Encoding: quoted-printable








Dear nwchem=20
users

I am trying to run nwchem in parallel in a linux cluster =
without=20
any success
I have installed the binary distribution which runs fine =
on a=20
single 
processor.

when I try to use the parallel program =
(i.e.=20
parallel nwchem test.nw)
with nwchem.p file as described in the =
manual, i get=20
the error message.

Creating: host=3Dmol,=20
user=3Dqchem,
         &n=
bsp;=20
file=3D/home/qchem/NWCHEM/bin/nwchem, port=3D33133
  2:=20
interrupt(1)

when I try to run it using mpirun (i.e. mpirun -np 8 =
nwchem=20
test.nw)
the program runs but when I look into the log file I see =
that
it=20
has used only one processor (nproc=3D1)
The mpi and ssh are =
configured in the=20
linux cluster work fine with 
other programs.

Any=20
suggestions?

Please reply directly to my email.
Thanks in =
advance=20


Christos S. Garoufalis


------=_NextPart_000_002B_01C4B20A.1F8ABE60--





Raw Message Text