[CP2K:400] Optimised compilation of CP2K

[Teodoro Laino]

Hi Chris,

don't worry about pint_types.. it's all about path integral and the  
code is in a sort of
alpha version.. so go on without optimizing that file..

teo
On 27 Nov 2007, at 16:14, Chris wrote:

>
> 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
>
>
> >