[CP2K-user] FFT PLANNING

Lucas Lodeiro eluni... at gmail.com
Wed Jun 3 01:00:09 UTC 2020


Hello,
I am running water box AIMD in CP2K 7.0. I read about the FFT plan routine
to accelerate the calculation about 10-15% using the following commands.
  FFTW_PLAN_TYPE                        EXHAUSTIVE
  FFTW_WISDOM_FILE_NAME        WISDOM.dat

I probe using EXHAUSTIVE, MEASURE, PATIENT, and ESTIMATE... but in all
cases the speed up is the same. MEASURE is the only slower case.
Also the WISDOM.dat file does not appear in the calculation folder.

Somebody can give me some advices about that?

Regards
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