From chemistry-request {*at*} server.ccl.net Mon Mar 4 15:39:30 2002 Received: from hermes.bmc.uu.se ([130.238.39.245]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g24KdU519601 for ; Mon, 4 Mar 2002 15:39:30 -0500 Received: from XRAY.bmc.uu.se ([130.238.37.10]) by hermes.bmc.uu.se (Post.Office MTA v3.5.3 release 223 ID# 0-62649U1500L1000S0V35) with ESMTP id se for ; Mon, 4 Mar 2002 21:38:46 +0100 Received: from zorn.bmc.uu.se (IDENT:spoel _-at-_)zorn.bmc.uu.se [130.238.37.95]) by XRAY.bmc.uu.se (8.11.6/8.8.7) with ESMTP id g24KdXb25931 for ; Mon, 4 Mar 2002 21:39:33 +0100 Date: Mon, 4 Mar 2002 21:38:32 +0100 (CET) From: David van der Spoel X-Sender: spoel-!at!-zorn.bmc.uu.se cc: chemistry # - at - # ccl.net Subject: Re: CCL:G98 Dual Processor ?? In-Reply-To: Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII On Mon, 4 Mar 2002, Ole W. Saastad wrote: > If you compiled gaussian with portland compiler you only have to set %nproc=2 it has a scaling of roughly 1.4, so 70% on 2 processors depending on your job. It works with threads. >-= This is automatically added to each message by mailing script =- >CHEMISTRY |-at-| ccl.net -- To Everybody | CHEMISTRY-REQUEST |-at-| ccl.net -- To Admins >MAILSERV.,at,.ccl.net -- HELP CHEMISTRY or HELP SEARCH >CHEMISTRY-SEARCH {*at*} ccl.net -- archive search | Gopher: gopher.ccl.net 70 >Ftp: ftp.ccl.net | WWW: http://www.ccl.net/chemistry/ | Jan: jkl \\at// ccl.net > > > > > Groeten, David. ________________________________________________________________________ Dr. David van der Spoel, Biomedical center, Dept. of Biochemistry Husargatan 3, Box 576, 75123 Uppsala, Sweden phone: 46 18 471 4205 fax: 46 18 511 755 spoel;at;xray.bmc.uu.se spoel;at;gromacs.org http://zorn.bmc.uu.se/~spoel ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++