[CP2K:547] Re: No output on test

[Jack Shultz]

I got cygwin to work finally. Not sure what I did differently. Maybe I was
not using the right g95 compiler. It took a long time to build so I left it
alone last night. So I ran
../../exe/Cygwin-i686-g95/cp2k.sopt H2O.inp
from the test directory QS. It ran ok. Thanks for the moral support. Now I
am trying on a 64-bit Linux server with 1GB of ram. I am trying to install
it as a non-privileged user. Some gave me a login to his server so I could
do some testing.
I installed these additional libraries FFTW, ATLAS (I think this consists of
BLAS and LAPACK) and LIBINT within my home directory since I don't have
write privileges on /usr/local. Is that an issue?
On Jan 9, 2008 5:01 PM, Jack Shultz <jackyg... at gmail.com> wrote:

> I'll try setting G95_MEM_MAXALLOC
>
>
> On Jan 9, 2008 3:58 PM, Jack Shultz <jackyg... at gmail.com> wrote:
>
> > I'll see if it makes any difference if I use FFTW. I have experience
> > using those libraries on another scientific app.
> >
> >
> > On Jan 9, 2008 3:55 PM, Teodoro Laino <teodor... at gmail.com> wrote:
> >
> > > Jack,
> > > once you compile cp2k you get all the modules automatically. There's
> > > no possibility to compile only few of them, since they are
> > > tightly connected.
> > > If you look for a real documentation on how to start using cp2k..
> > > well.. you may have read already the discussion going on about release and
> > > documentation. There's mainly nothing, if not the few pages on this group,
> > > that can be used to start using cp2k.
> > > The learning curve can be quite steep.. but you've plenty of examples
> > > in cp2k/tests and this discussion group for posting your
> > > problems. I'm sure that people here will be happy to answer your
> > > questions ;-).
> > >
> > > Teo.
> > >
> > >  On 9 Jan 2008, at 21:51, Jack Shultz wrote:
> > >
> > > Where do I find info on enabling different modules?
> > >
> > > On Jan 9, 2008 1:57 PM, Teodoro Laino <teodor... at gmail.com> wrote:
> > >
> > > > Depends on your system and which module you want to run.. cannot
> > > > really give you a number.. Honestly speaking cp2k is as not
> > > > memory-slim as one may wish.. Somehow there's a redundant use of memory.
> > > > Let's say the way we handle the memory structures is not optimal.
> > > >
> > > > However I can safely say that with 128MB (part of them used also
> > > > from the OS) you can't run large projects.
> > > >
> > > > Teo
> > > >
> > > >   On 9 Jan 2008, at 19:51, Jack Shultz wrote:
> > > >
> > > > Thanks for letting me know. How about actually running the app.
> > > > Would you need the same amount of memory?
> > > >
> > > >
> > > >
> > > >
> > > >
> > > >
> > > >
> > >
> > > > > >
> > >
> >
>
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