Optimised compilation of CP2K
Chris
christopher... at chem.ox.ac.uk
Tue Nov 27 15:14:42 UTC 2007
I am compiling CP2K, but the file pint_types.F does not seem to be
compatible with code optimisation - I am compiling it manually without
any optimisation. Will this have any significant negative effect on
performance?
Thanks.
My compiler settings are as follows:
CC = xlc_r
CPP = /usr/ccs/lib/cpp
FC = mpxlf95_r -qsuffix=f=f90
LD = mpxlf95_r
AR = ar -r -X64
DFLAGS = -D__AIX -D__ESSL -D__FFTSG -D__FFTESSL\
-D__parallel -D__BLACS -D__SCALAPACK
CPPFLAGS = -C $(DFLAGS) -P
FCFLAGS = -O3 -g -q64
LDFLAGS = $(FCFLAGS) -bnoquiet
LIBS = -L/usr/local/lib -lscalapack -lpessl -lblacsF77init -lblacs
\
-llapack -lessl
OBJECTS_ARCHITECTURE = machine_aix.o
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