[CP2K:2418] Re: Catastrophical Error w/ Intel Compiler and w/o libintwrapper
uhlig... at googlemail.com
Tue Nov 24 16:51:12 UTC 2009
thanks for the suggestion. I am already on it (ifort v10.1.021), because
the cp2k version compiled with the 11.1 seems to have reproducable
memory issues (i.e., always getting an abort due to "insufficient
Right now the regtests are running and so far they are doing quite well.
Will try the -O2.
But the Problem with the ISO_C_BINDING stays, because I can't try that
with the 10.x intel Fortran Compilers as they do not have this feature
included. So any help here still would be appreciated...
Thanks so far,
On Tue, 2009-11-24 at 08:40 -0800, Matthias Krack wrote:
> Hi Frank,
> I would suggest to try an older Intel compiler version like 11.0 or
> 10.1, since there might be problems with 11.1. For instance 10.1 is
> working for me with the today's CP2K version, ie. all regtests passed.
> Moreover, I would reduce the optimization level from -O3 to -O2.
> On Nov 24, 12:34 pm, Frank Uhlig <uhlig... at googlemail.com> wrote:
> > Hi all,
> > at first with respect to the last thread concerning the compilation
> > (for link see below) I found a setup that works for me and the
> > regtests. While trying to compile the whole thing with same setup but
> > just without the libintwrapper (meanig excluding the -
> > D__HAS_NO_ISO_C_BINDING and the corresponding libraries including
> > libstdc++) I get a "catastrophical error" (see output of make).
> > Any help or suggestions concerning this would be appreciated.
> > Thanks,
> > Frank
> > used compilers and libraries:
> > Intel Fortran/C compiler v11.1.059
> > OpenMPI v1.3.3
> > Libint v1.1.4
> > FFTW3 v3.2.2
> > thread concerning compilation with intel and pgi:
> > http://groups.google.com/group/cp2k/browse_thread/thread/45381865336e...
> > working arch-file:
> > http://cp2k.googlegroups.com/web/Linux-x86-64-intel-libintwrapper.pop...
> > make-output:
> > http://groups.google.com/group/cp2k/web/cp2k_make_error.log
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