cp2k on POWER4 running Linux

[Eric Shamay]

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.



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 -
qtune=pwr4
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