Optimised compilation of CP2K

Matt W MattWa... at gmail.com
Tue Nov 27 16:57:49 UTC 2007


Hi,

if this is HPCx, then I think the compilation times out on the
frontend in that file.  You might just be able to continue the make
from where it left off.

Matt

On Nov 27, 5:54 pm, Teodoro Laino <teodor... at gmail.com> wrote:
> 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


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