From: Joachim Hein (joachim_at_epcc.ed.ac.uk)
Date: Mon Apr 24 2006 - 12:26:30 CDT
On Wed, 19 Apr 2006, Rene Salmon wrote:
>
> Hi List,
>
> We are having problems getting NAMD 2.6b1 on IBM Power5 using AIX
> 5.2 to run. I followed the instructions on the wiki
>
> http://www.ks.uiuc.edu/Research/namd/wiki/index.cgi?NamdOnAIX
>
> and managed to compile both namd and charm. The problem we are still having
> is that when we try to run NAMD using loadleveler and poe namd just hangs
> after running for a few seconds and does nothing I am hopping someone here
> can shed some light. Here is what I did to compile:
>
> - Download nightly charm++
> - ./build charm++ mpi-sp -qtune=pwr5 -O3 -qarch=pwr5 -DCMK_OPTIMIZE=1
>
> This went fine no problems or error messages.
>
> - In the NAMD source, in the file vmdsock.C, change:
>
> SOCKLEN_T to NAMD_SOCKLEN_T, two occurences
>
> - Here is what my AIX-POWER-xlC.arch make file looks like:
>
> rsalmon_at_l2f1n01 73> cat AIX-POWER-xlC.arch
> NAMD_ARCH = AIX-POWER
> CHARMARCH = mpi-sp
>
> CXX = xlC_r -w -qstaticinline -DMEMUSAGE_USE_SBRK
> CXXOPTS = -O3 -qstrict -qaggrcopy=nooverlap -qalias=addr:ansi:typ -Q
> -qarch=com -qtune=pwr5 -qfloat=rsqrt:fltint -bmaxdata:0x80000000
> CXXNOALIASOPTS = -O3 -qaggrcopy=nooverlap -qalias=addr:allp:ansi:typ -Q
> -qarch=com -qtune=pwr5 -qfloat=rsqrt:fltint -bmaxdata:0x80000000
> CC = xlc_r -w
> COPTS = -O4 -qinlglue -qarch=com -qtune=pwr5 -bmaxdata:0x80000000
>
>
Dear Rene,
Not sure whether you are still interested. If you have another look at
what I wrote into the NAMD wiki. I reported problems with the -qalias
flag. Please try the options, which I have detailed in the
AIX-POWER-xlC.arch file and see whether your problems go away.
Best wishes
Joachim
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