cp2k on POWER4 running Linux

Axel akoh... at gmail.com
Wed Jun 18 22:50:07 UTC 2008

On Jun 18, 5:56 pm, Eric Shamay <eric.... at gmail.com> wrote:
> Hello all,

hello eric,

> I'm attempting a linux install of cp2k on a POWER4 cluster. I've had
> great success previously running on intel hardware on linux, but the
> ibm hardware is getting the installation stuck somewhere. I'm curious
> to know specifically which machine_* file I should be using for this
> setup, and also what I should use instead of the '-D__AIX' or '-
> D__INTEL' that I used on previous machines. I copied over the AIX arch
> file to work with, and I don't know what the options are for running
> on the POWER4 hardware. Any help would be greatly appreciated.

how about starting from the Linux-ppc5-xlf.?opt arch files?
if you don't need libint, i would just remove the libint
and its wrapper related stuff and adapt the optimization to
optimize for power4 instead of power5.


> Here is a copy of the arch/system.sopt file:
> CC       = xlc
> CPP      = cpp -traditional -E
> FC       = xlf90
> LD       = xlf
> AR       = ar
> FCFLAGS  = -O2 -qstrict -q64 -qarch=pwr4 -qcache=auto -qmaxmem=-1 -
> qtune=pwr4
> LIBS     = -llapack -lblas -lfftw3
> OBJECTS_ARCHITECTURE = machine_aix.o
> If you spot any other problems, please let me know those, too.
> Thank you!
> ~Eric Shamay

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