The error message you're getting is this:
Fatal Error: This program was not built to run on the processor in your
system.
The allowed processors are: Intel(R) Pentium(R) 4 and compatible Intel
processors with Intel(R) Streaming SIMD Extensions 3 (Intel(R) SSE3)
instruction support.
I'm guessing that pmemd used some optimization flag that the rest of Amber
doesn't, and that optimization flag only works on Intel processors. (See
if there's something obvious about enabling SSE3, and just remove that
optimization flag).
It would probably be safe to just copy the sander/normal optimization flags
into the pmemd variables in your config.h
HTH,
Jason
On Mon, Feb 6, 2012 at 10:22 AM, Vlad Cojocaru <
vlad.cojocaru.mpi-muenster.mpg.de> wrote:
> Dear Amber users,
>
> I compiled amber 11 (with amber tools 1.5), newly patched with intel
> 12.1.2.
> However, when I test the programs I get some test failures (see attached
> file). In particular, I am puzzled by the pmemd test failures (see end of
> attached file).
>
> Well, my architecture is AMD Opteron-based but until now I was always able
> to compile with intel compilers and got about 10-20 % increase in speed
> (both amber and pmemd) comparing with the gcc compilations.
>
> Can anybody shed light on why pmemd fails to build with intel 12.1 on an
> AMD-based architecture?
>
> Thank you
>
> Best wishes
> Vlad
>
> --
> Dr. Vlad Cojocaru
> Max Planck Institute for Molecular Biomedicine
> Department of Cell and Developmental Biology
> Röntgenstrasse 20, 48149 Münster, Germany
> Tel: +49-251-70365-324; Fax: +49-251-70365-399
> Email: vlad.cojocaru[at]mpi-muenster.**mpg.de <http://mpi-muenster.mpg.de>
>
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Mon Feb 06 2012 - 08:30:03 PST
