From chemistry-request@server.ccl.net Thu Mar 2 14:47:42 2000 Received: from uscmail.usc.es (uscmail-atm.usc.es [193.144.78.21]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id OAA02104 for ; Thu, 2 Mar 2000 14:47:33 -0500 Received: from qogolem (qogolem.usc.es [193.144.74.235]) by uscmail.usc.es (8.9.1/8.9.1) with SMTP id TAA09229 for ; Thu, 2 Mar 2000 19:42:20 +0100 (MET) From: "Armando Navarro" To: Subject: Gaussian98w and SMP processing Date: Thu, 2 Mar 2000 19:34:28 +0100 Message-ID: <01bf8475$f183ccd0$eb4a90c1@qogolem.usc.es> Dear members: I have a Dual PentiumII PC and after installing PC-GAMESS I gave to the system variable named MKL_NPROC the value 2 in order to run GAMESS in SMP parallel mode. However I noticed a strange behavior of Gaussian98w after this. The program seems to use the two CPU, so I thought that Gaussian was effectively running in SMP mode. But when I measured the cpu and wall-clock times there was non improvement respect to set MKL_NPROC=3D1. Has anybody noticed this behavior of Gaussian in Dual Boxes? Regards Armando Navarro Departamento de quimica Organica Facultade de quimica Universidade de Santiago de Compostela Spain e-mail: qoajnv@usc.es