On Tue, Sep 09, 2003 at 09:00:32AM -0600, James Eppich wrote:
We bought a dual opteron and run SuSE 8.2 beta 9. We have been trying to run software like Gaussian and scientific number crunching software like
I think Gaussian03 should have a makefile for the Opteron using the Portland Group compiler (I don't know for sure, I don't like Gaussian because it's so slow and nasty..)
that. I'm not really a linux person but I have been working with other people on trying to get this software compiled. The other people have since left me hanging, saying they either dont have time or are just having trouble getting it to work. Has anyone had success on getting programs like these to work in x86-64 mode? (not IA-32/64 compiled) thanks,
I managed to build Dalton, but with g77 so I don't use it because it's much slower than the 32bit version compiled with ifc 7.1. We are using TURBOMOLE here, but the version compiled with the 32bit Intel compiler. I don't think it makes much sense to buy the Portland Compiler, 32bit binaries compiled with ifc are faster. The only advantage with 64bit is that you can use as much memory as you like (if you have it :-().
James
Cheers Gregor -- -*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*- Gregor Stößer email: gregor.stoesser@chemie.uni-karlsruhe.de Institut für Anorganische Chemie Universität Karlsruhe Tel: 0721/608 2988 Fax: 0721/608 4854 *-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-