From: BIN ZHANG (zhngbn_at_gmail.com)
Date: Mon Apr 20 2009 - 12:30:17 CDT
Hi, Joachim:
I will definitely try this. But I heard before that gcc might affect
the efficiency of NAMD significantly, did you notice this?
Another thing that might worth mention is that, I can compile NAMD2.6
with PGI on the same machine without any problem.
Thanks,
Bin
On Apr 20, 2009, at 4:05 AM, Joachim Hein wrote:
>> zhngbn_at_gmail.com wrote:
>>> Dear all:
>>>
>>> I was trying to compile the NAMD2.7b1 version on a CRAY-XT3
>>> supercomputer, and get the following error that I do not understand.
>>>
>>> PGCC-W-0277-Cannot inline function _mm_set_pd - data type mismatch
>>> (/opt/pgi/7.0.7/linux86-64/7.0-7/include/CC/iostream: 882)
>>> PGCC-W-0277-Cannot inline function _mm_set_pd - data type mismatch
>>> (/opt/pgi/7.0.7/linux86-64/7.0-7/include/CC/iostream: 883)
>>> PGCC-W-0277-Cannot inline function _mm_set_pd - data type mismatch
>>> (/opt/pgi/7.0.7/linux86-64/7.0-7/include/CC/iostream: 884)
>>>
>>> Does this look familiar to you guys? Any idea what would be the
>>> problem?
>>>
>>> Thanks a lot.
>>> Bin
> Hi Bin,
>
> try using the gcc compiles on a Cray XT.
>
> module swap PrgEnv-pgi PrgEnv-gnu
>
> You need to do this for all: charm++, FFTW, TCL and namd
>
> I have no problems building XT executables with gcc and have not
> received any problem reports for the ones I build (knock on wood).
>
> Hope this helps.
>
> Best wishes
> Joachim
>
>
>
> --
> The University of Edinburgh is a charitable body, registered in
> Scotland, with registration number SC005336.
>
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