[CP2K:2208] Re: problem of recompiling cp2k

[Jun Cheng]

I finally found out my problem. There was nothing wrong with compiler or
libraries.
The problem may be stupid. It seems cp2k changes command format of starting
the program.
Changing "cp2k input > output" to "cp2k -i input -o output" fixes it.
Or, it is related to the use of mpiexec (openmpi), which enforces the later
format?

Cheers,
Jun

On Thu, Aug 6, 2009 at 9:52 PM, Axel <akoh... at gmail.com> wrote:

>
>
>
> 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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