On 10/5/21 2:37 PM, Loris Bennett wrote:
> Hi,
>
> "Strube, Alexandre" <a.str...@fz-juelich.de> writes:
>
>> Our local CP2K expert, Dr. Thomas Müller, has a number of remonstrances
>> about easybuild’s cp2k build- Perhaps it would be interesting if he join the
>> discussion, so I’m CC’ing him.
>>
>> On 5. Oct 2021, at 09:32, Alan O'Cais <a.oc...@fz-juelich.de> wrote:
>>
>> I think Åke is right from looking at
>> https://groups.google.com/g/cp2k/c/H7K8vR3vEto . You probably need that flag
>> to trigger the linking to the fftw3_threads library.
>>
>> On Tue, 5 Oct 2021 at 09:16, Åke Sandgren <ake.sandg...@hpc2n.umu.se> wrote:
>>
>> You do know that there is a CP2K-7.1-foss-2020b-psmp.eb available already?
>>
>> that one also have toolchainopts openmp=true
>
> Yes, I had seen that, although I missed openmp=true. However, as it is
> the only EC with that variant, it seemed more elegant to add 'psmp' via a
> hook, since we are probably always going to want 'psmp'.
>
> I changed my parse hook to:
>
> if self.name == 'CP2K':
> self.cfg['toolchainopts']['openmp'] = True
> self.log.info("[pre-configure hook] Added toolchain option \"{openmp:
> True}\"")
> self.cfg['type'] = 'psmp'
> self.log.info("[pre-configure hook] Added type =\"=psmp\"")
> return
You need to look at the hooks examples in the framework/contrib dir. You
can't do things that way in the parse_hook.
And if you're in the pre_configure_hook (as the log.info parts suggest)
you can't change things like toolchainopts.
--
Ake Sandgren, HPC2N, Umea University, S-90187 Umea, Sweden
Internet: a...@hpc2n.umu.se Phone: +46 90 7866134 Fax: +46 90-580 14
Mobile: +46 70 7716134 WWW: http://www.hpc2n.umu.se
