problem of recompiling cp2k

[Jun]

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.

> 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