From owner-nwchem-users@emsl.pnl.gov Sat Dec 18 04:52:41 2004 Received: from odyssey.emsl.pnl.gov (localhost [127.0.0.1]) by odyssey.emsl.pnl.gov (8.12.10/8.12.10) with ESMTP id iBICqfPg003744 for ; Sat, 18 Dec 2004 04:52:41 -0800 (PST) Received: (from majordom@localhost) by odyssey.emsl.pnl.gov (8.12.10/8.12.10/Submit) id iBICqfqu003743 for nwchem-users-outgoing; Sat, 18 Dec 2004 04:52:41 -0800 (PST) Date: Sat, 18 Dec 2004 07:52:36 -0500 From: =?ISO-8859-1?Q?Ren=E9_Kanters?= Subject: Re: Running 1 nwchem job on multiple Mac OS X machines In-reply-to: <41C391D3.4000805@pnl.gov> To: Edoardo Apra Cc: nwchem-users@emsl.pnl.gov Message-id: MIME-version: 1.0 (Apple Message framework v619) X-Mailer: Apple Mail (2.619) Content-type: text/plain; charset=ISO-8859-1; format=flowed References: <95944B88-5059-11D9-83D9-000393D56CA0@richmond.edu> <41C35A4C.9080509@pnl.gov> <41C37E28.6090508@pnl.gov> <940D5CA0-5099-11D9-83D9-000393D56CA0@richmond.edu> <41C391D3.4000805@pnl.gov> Content-Transfer-Encoding: 8bit X-MIME-Autoconverted: from quoted-printable to 8bit by odyssey.emsl.pnl.gov id iBICqePg003740 Sender: owner-nwchem-users@emsl.pnl.gov Precedence: bulk Hi Edo and Jarek, That is exactly what I was trying to do when I compiled nwchem for lam/mpi but could not get to work. (That was the case that I got the armci buffer errors I talked about earlier). I was concerned about the 7.1.1 version as opposed to the 7.0.x version the manual talks about, so I even tried it with the older one and had the same problem. René On Dec 17, 2004, at 9:11 PM, Edoardo Apra wrote: > Yes, in principle it's possible. However I have never tested it. > > You need to have an installation of either > 1) mpich using the p4 device > or > 2) lam using the tcp module. > > Edo > > René Kanters wrote: > >> I was afraid about that. >> >> Isn't it possible to compile nwchem to run a single job distributed >> over multiple (single and/or dual) machines in a grid type fashion? >> >> René >> >> On Dec 17, 2004, at 7:47 PM, Edoardo Apra wrote: >> >>> No >>> the nwchem binary for MAC OSX is going to work only inside one >>> (dual) computer >>> >>> Edo >>> >> > > -- > Edoardo Apra` - PNNL - P.O. Box 999, MS K8-91 - Richland, WA 99352 > Tel +1-509-376-1280 Fax +1-509-376-0420 > > > >