From owner-nwchem-users@emsl.pnl.gov Wed Jan 31 09:41:30 2007 Received: from odyssey.emsl.pnl.gov (localhost [127.0.0.1]) by odyssey.emsl.pnl.gov (8.13.8/8.13.8) with ESMTP id l0VHfS1D005663 for ; Wed, 31 Jan 2007 09:41:29 -0800 (PST) Received: (from majordom@localhost) by odyssey.emsl.pnl.gov (8.13.8/8.13.8/Submit) id l0VHfSMv005662 for nwchem-users-outgoing-0915; Wed, 31 Jan 2007 09:41:28 -0800 (PST) X-Authentication-Warning: odyssey.emsl.pnl.gov: majordom set sender to owner-nwchem-users@emsl.pnl.gov using -f X-Ironport-SG: OK_Domains X-Ironport-SBRS: 3.5 X-IronPort-Anti-Spam-Filtered: true X-IronPort-Anti-Spam-Result: AgAAAAJjwEXAMLMLh2dsb2JhbACOXwEBAQgOKo84AQEBAQ X-IronPort-AV: i="4.13,263,1167638400"; d="scan'208"; a="18967575:sNHT76769539" Date: Wed, 31 Jan 2007 11:41:23 -0600 (CST) From: Gerardo Cisneros X-Sender: gerardo@zion.americas.sgi.com To: Francesco Pietra cc: users nwchem Subject: Re: [NWCHEM] parallel command In-Reply-To: <935834.59230.qm@web58901.mail.re1.yahoo.com> Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Sender: owner-nwchem-users@emsl.pnl.gov Precedence: bulk Francesco, You wrote: > [...] > Obviously the command "parallel" does not exist on > bash The "parallel" command gets built with nwchem if you choose to use TCGMSG rather than MPI. If your nwchem executable was built over MPI then you will not need "parallel" and you *will* need to run nwchem through mpirun or mpiexec, depending on which MPI your nwchem executable was built with. > and I do not understand whether I have to create > a file nwchem.p for user hostname etch .. > [...] If your nwchem was built with TCGMSG, then yes, you need to create the file, which describes your parallel environment. Saludos, Gerardo -- Dr. Gerardo Cisneros |SGI (Silicon Graphics, S.A. de C.V.) Scientist |Av. Vasco de Quiroga 3000, Col. Santa Fe gerardo@sgi.com |01210 Mexico, D.F., MEXICO (+52-55)5563-7958 |http://www.sgi.com/