problem of recompiling cp2k

Axel akoh... at gmail.com
Thu Aug 6 22:52:09 CEST 2009



On Aug 6, 4:46 pm, Jun <chen... at googlemail.com> wrote:
> Thank you for the reply, axel.
>
> > which cp2k tests input fails?
>
> I tested a few input files in cp2k/tests/QS/, e.g. H2-md.inp H2O-
> md.inp,
> and one from my previous project. cp2k gave the same error message of
> failing to parse input.

it works for me here with intel fortran 11.0.083...
axel.

>
> > if it is a problem with the executable, then i has to be due to the
> > compiler misompiling it. the "safe" fallback is usually g95. i always
> > compile both, intel and g95 versions of the executables, so that i
> > can conveniently crosscheck if it is a compiler problem or a source
> > code problem.
>
> I will try g95, or other compiler, and see what I will get.
>
> Cheers,
> Jun


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