Ok .. Thanks. The problem is the "-xP flag on PMEMD ...
I will replace this with "-xHost" which shout read from the processor
info what optimization level to use.
Best,
Vlad
On 02/06/2012 05:04 PM, Jason Swails wrote:
> 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
>>
>>
>
--
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
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Received on Mon Feb 06 2012 - 08:30:03 PST
