From owner-nwchem-users@emsl.pnl.gov Thu Jan 24 13:02:44 2008 Received: from odyssey.emsl.pnl.gov (localhost [127.0.0.1]) by odyssey.emsl.pnl.gov (8.14.1/8.14.1) with ESMTP id m0OL2hE9022115 for ; Thu, 24 Jan 2008 13:02:44 -0800 (PST) Received: (from majordom@localhost) by odyssey.emsl.pnl.gov (8.14.1/8.14.1/Submit) id m0OL2hRx022114 for nwchem-users-outgoing-0915; Thu, 24 Jan 2008 13:02:43 -0800 (PST) X-Authentication-Warning: odyssey.emsl.pnl.gov: majordom set sender to owner-nwchem-users@emsl.pnl.gov using -f X-IronPort-AV: E=Sophos;i="4.25,246,1199692800"; d="scan'208";a="64406669" X-MimeOLE: Produced By Microsoft Exchange V6.5 Content-class: urn:content-classes:message MIME-Version: 1.0 Content-Type: text/plain; charset="us-ascii" Content-Transfer-Encoding: quoted-printable Subject: RE: [NWCHEM] question about io in tce Date: Thu, 24 Jan 2008 13:02:40 -0800 Message-ID: In-Reply-To: X-MS-Has-Attach: X-MS-TNEF-Correlator: Thread-Topic: [NWCHEM] question about io in tce Thread-Index: AchewTxxesqsgOZIR8614P1AAgsr+wACiYQg References: From: "Kowalski, Karol" To: "Dan Chipman" , X-OriginalArrivalTime: 24 Jan 2008 21:02:41.0432 (UTC) FILETIME=[754C1980:01C85ECC] Sender: owner-nwchem-users@emsl.pnl.gov Precedence: bulk Hi Dan Would you please send me a copy of your input file. Is the 480 gb the amount of memory you requested per CPU? If so, I would say that the delay may be caused by swapping data. Best regards, Karol =20 -----Original Message----- From: owner-nwchem-developers@emsl.pnl.gov [mailto:owner-nwchem-developers@emsl.pnl.gov] On Behalf Of Dan Chipman Sent: Thursday, January 24, 2008 11:20 AM To: nwchem-users@emsl.pnl.gov Subject: [NWCHEM] question about io in tce I am running EOM-CCSD calculations using the TCE module in NWChem. I was under the impression that for the IO parameter, specifying GA is =20 preferable to REPLICATED. But experimenting on a big memory ALTIX =20 machine and running with just one processor, my job ran significantly faster with small memory (400 mb) using IO REPLICATED, TILESIZE=3D15 = than it did with big memory (480 gb, much more than necessary) using IO GA. Can anyone explain why? Am I not doing everything right? My messages bounce when I append the output files, so edited versions of them will individually be sent separately. Dan Chipman