cp2k on POWER4 running Linux
akoh... at gmail.com
Thu Jun 19 00:50:07 CEST 2008
On Jun 18, 5:56 pm, Eric Shamay <eric.... at gmail.com> wrote:
> Hello all,
> 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
> DFLAGS = -D__AIX -D__ESSL -D__FFTSG -D__FFTW3
> CPPFLAGS = -C $(DFLAGS) -P
> FCFLAGS = -O2 -qstrict -q64 -qarch=pwr4 -qcache=auto -qmaxmem=-1 -
> LDFLAGS = $(FCFLAGS)
> 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
More information about the CP2K-user