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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