[Pw_forum] pw.1.3.0 and ifc 7.1
Serguei Patchkovskii
ps at ned.sims.nrc.ca
Wed Dec 3 23:32:10 CET 2003
On Wed, 3 Dec 2003, Paolo Giannozzi wrote:
> > For Athlons (both XP and MP), you must choose the p3-optimized version of
> > MKL. For Opterons, both p3 and p4 versions work fine.
>
> did you compile pwscf on Opterons ?
Yes - with pgf90 (which is AFAIK the only Fortran-90 compiler, which supports
64-bit mode on Opteron). Unfortunately, I find that pgf90 generates very slow
code for pwscf, even with opteron-specific optimizations. ifc binary, running
in 32-bit compatibility mode (-xW and P4 MKL) outperforms 64-bit pgf90 binary
(which has twice as many registers to play with!) by a large margin, on all
(small) test cases I tried.
This was with 5.0-2 version of pgf90 - hopefully, things improved with 5.1
(which was released couple of weeks ago). However, I did not have time to
play with it yet.
Serguei
---
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