[CP2K:7888] Running CP2K with multiple cores on Cygwin for Windows 7 32

Iain Bethune ibet... at epcc.ed.ac.uk
Tue Jul 5 06:01:37 UTC 2016

Hi Gary,

Did you make sure to "make ARCH=Cygwin-i686-gfortran VERSION=sopt clean” after you modified the arch file?

You can check if your run has used multiple threads by looking near the top of your output for a line like:

"GLOBAL| Number of threads for this process                                    2”

Usually, if you don’t set the OMP_NUM_THREADS variable, it should spawn as many threads as there are available cores, but I’m not sure what the expected behaviour on Cygwin is, you might want to set OMP_NUM_THREADS manually before running CP2K.

- Iain


Iain Bethune
Project Manager, EPCC

Email: ibet... at epcc.ed.ac.uk
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> On 5 Jul 2016, at 00:43, Gary Tom <gary... at mail.mcgill.ca> wrote:
> Hello,
> I am still very new to CP2K. I am trying to create an OpenMP binary file (cp2k.ssmp) to have the projects run faster (refer to: https://groups.google.com/forum/#!topic/cp2k/OyVoivjff3o) 
> I have attempted to just use the "Cygwin-i686-gfortran.sopt" file, with an additional -fopenmp tag in FCFLAGS, but I do not see any improvement in the run time. What do I need to have in the ARCH file to properly get a "cp2k.ssmp" file for Cygwin?
> Thanks,
> Gary
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