Gaussian98w and SMP processing
- From: "Armando Navarro" <qoajnv ( ( at ) )
- Subject: Gaussian98w and SMP processing
- Date: Thu, 2 Mar 2000 19:34:28 +0100
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?
Departamento de quimica Organica
Facultade de quimica
Universidade de Santiago de Compostela
e-mail: qoajnv ( ( at ) ) usc.es