[molpro-user] MOLPRO experiences with dual core Opteron machines

Gershom (Jan M.L.) Martin comartin at wicc.weizmann.ac.il
Mon Nov 14 12:25:05 GMT 2005

Dear MOLPRO users and gurus:

Do any of you have experience/benchmark data/... for MOLPRO running on 
dual-core Opteron machines, particularly compared to an equivalent 
number of single-core CPUs.
(E.g., two Opteron 246s compared with a single Opteron 275,...)

What I am trying to figure out is if MOLPRO suffers from memory access 
contention on the dual-core chip. (The two cores on a dual-core Opteron 
share a single memory access channel, while two separate CPUs each have 
their own. Each core does have its own cache.)

Thanks very much in advance!
Jan Martin

Gershom (Jan M.L.) Martin   /  Baroness Thatcher Professor of Chemistry
Member, Lise Meitner-Minerva Center for Computational Quantum Chemistry
    and Helen and Martin Kimmel Center for Molecular Design
Dept. of Organic Chemistry  /  Weizmann Institute of Science
Kimmelman Bldg., Room 252   /  76100 Rechovot, Israel
Email: comartin at wicc.weizmann.ac.il
Phone: +972 8 9342533 (office),  +972 54 4631676 (mobile)
FAX: +972 8 9344142 (dept.),  +972 8 9342621 (direct to computer)
Web: http://theochem.weizmann.ac.il

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