From chemistry-request { *at * } ccl.net Thu Oct 14 08:11:43 2004 Received: from nic.upatras.gr (nic.upatras.gr [150.140.129.30]) by server.ccl.net (8.12.8/8.12.8) with SMTP id i9EDBXtT031460 for ; Thu, 14 Oct 2004 08:11:41 -0500 Received: (qmail 19833 invoked by uid 111); 14 Oct 2004 13:23:22 -0000 Received: from garoufal_at_physics.upatras.gr by nic.upatras.gr by uid 103 with qmail-scanner-1.22 (clamdscan: 0.71. Clear:RC:1(150.140.159.71):. Processed in 0.081693 secs); 14 Oct 2004 13:23:22 -0000 Received: from pythagoras.physics.upatras.gr (150.140.159.71) by nic.upatras.gr with SMTP; 14 Oct 2004 13:23:22 -0000 Received: (qmail 30923 invoked from network); 14 Oct 2004 13:20:50 -0000 Received: from qchem-w03.physics.upatras.gr (HELO qchemw03) (150.140.159.226) by pythagoras.physics.upatras.gr with SMTP; 14 Oct 2004 13:20:50 -0000 Message-ID: <002e01c4b1f0$fa46ae20$e29f8c96 { *at * } qchemw03> From: "Christos Garoufalis" To: Cc: Subject: parallel nwchem problem Date: Thu, 14 Oct 2004 16:23:22 +0300 MIME-Version: 1.0 Content-Type: multipart/alternative; boundary="----=_NextPart_000_002B_01C4B20A.1F8ABE60" X-Priority: 3 X-MSMail-Priority: Normal X-Mailer: Microsoft Outlook Express 6.00.2800.1437 X-MimeOLE: Produced By Microsoft MimeOLE V6.00.2800.1441 X-Spam-Status: No, hits=1.0 required=7.5 tests=HTML_20_30,HTML_MESSAGE autolearn=no version=2.61 X-Spam-Checker-Version: SpamAssassin 2.61 (1.212.2.1-2003-12-09-exp) on servernd.ccl.net 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
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