cp2k on POWER4 running Linux

Axel akoh... at gmail.com
Tue Jun 24 01:57:27 CEST 2008



On Jun 23, 7:27 pm, Eric Shamay <eric.... at gmail.com> wrote:
> Axel,

eric,

> Thanks for the response. I've done just that and found it to compile
> most of the way but then it hangs when linking to blas/lapack. What
> I'm curious about is the effect of using the -D__AIX even though I'm
> installing to a linux system. Will there be and problems in doing such
> a thing?

in fortran the "platform" defines are actually more
related to the compiler than the operating system.
the -D__AIX define would be more appropriately named
-D__XLF since you are using the XLF compiler (which is
"native" to AIX). if, for instance, you were using g95
for your platform, you'd have to use the corresponding
g95 arch file and tweak it.

this would be different for c code, but the cp2k developers
have put a lot of effort into avoiding this (except for
libint but even there the preference is on using the
fortran 2003 standard on interfacing fortran with c and
not needing c wrappers).

cheers,
   axel.

>
> ~Eric
>
> On Jun 18, 6:50 pm, Axel <akoh... at gmail.com> wrote:
>
> > how about starting from the Linux-ppc5-xlf.?opt arch files?
> > if you don't need libint, i would just remove the libint
> > and its wrapper related stuff and adapt the optimization to
> > optimize for power4 instead of power5.
>
> > cheers,
> >    axel.


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