tough time compiling

Axel akoh... at gmail.com
Wed Jul 2 20:50:23 CEST 2008



On Jul 2, 1:09 pm, ckinztho <ckin... at gmail.com> wrote:
> Hello,

hello colin,

> I've been trying to compile cp2k for a few days now, and am realizing
> that I need some help. I running Red Hat Linux, x86-64, with an Intel
> Xeon processor. I was able to compile the sopt version once, but only
> got segfaults when I ran tests (this was using gcc and the intel

when using the intel compiler, you have to consider that
you have to increase the stack size. all "automatic" variables
are created on the stack with intel compilers from version 8.0
(intel 10.1 has a flag to allocate some of them on the heap),
since redhat has a notoriously small default stack size setting.

however, there are many other details that can go wrong. for
compiling cp2k correctly it is important to know more that a little
bit about compilers and selecting the right compiler flags to
work around deficiencies of the compilers or badly chosen defaults.
cp2k is a quite complex code and thus very demanding in terms of
the compiler being correct.

> fortran compiler 9.1.039), so I tried compiling (including
> dependencies) with g95 (the 32 bit one). This gave me errors that

you mean the one with 32-bit default integers, right?

> amounted to g95 just not understanding the fortran files. I'm just

are you certain that is in reference of the fortran files or
could it be in reference to .mod files?

> fairly confused about the process in general now, and was wondering if
> anyone could walk me through it, or had any suggestions. What I've
> been doing is not working. Thank you so much,

since every machine is set up differently, there is no
simple step-by-step procedure. you 'only' have to make sure
that everything you need to compile cp2k is working perfectly.
if that is the case, cp2k will compile easily and work well.
i've walked a few people through installing cp2k on their
respective machines and most of the time was spent on finding
the proper compilers/libraries and how to adjust the flags
in the configuration files in the arch directory.

cheers,
    axel.

> Colin


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