[Pw_forum] pw.1.3.0 and ifc 7.1

Serguei Patchkovskii ps at ned.sims.nrc.ca
Tue Dec 2 22:26:28 CET 2003

On Tue, 2 Dec 2003, Paolo Giannozzi wrote:
> the only difference between AMD and Intel processors I am aware of,
> is that you cannot use the MKL library with the former.

You most certainly can use MKL with AMD processors (we do, for pwscf
as well as for many other codes). For Athlons (both XP and MP), you
must choose the p3-optimized version of MKL. For Opterons, both p3 and
p4 versions work fine. The resulting executable is not quite as fast as
with a fully optimized library (e.g. Atlas) - but the difference is
fairly small.

This is not something you want to do if you only have Athlons around.
However, if you have to support a heterogenous cluster, it allows a
large reduction in the amount of work you have to do to build and
test the binaries.


Dr. Serguei Patchkovskii

Tel: +1-(613)-990-0945
Fax: +1-(613)-947-2838
E-mail: Serguei.Patchkovskii at nrc.ca

Coordinator of Modelling Software
Theory and Computation Group
Steacie Institute for Molecular Sciences
National Research Council Canada
Room 2011, 100 Sussex Drive
Ottawa, Ontario
K1A 0R6 Canada

More information about the users mailing list