[CP2K-user] [CP2K:14116] FFT library FFTW3 is not available ....

Krack Matthias (PSI) matthi... at psi.ch
Tue Oct 27 07:54:35 UTC 2020


It seems your CP2K executable does not include the FFTW library. Check, if your CP2K executable was compiled with the –D__FFTW flag.


From: cp... at googlegroups.com <cp... at googlegroups.com> On Behalf Of vasanth kumar
Sent: Dienstag, 27. Oktober 2020 06:01
To: cp... at googlegroups.com
Subject: [CP2K:14116] FFT library FFTW3 is not available ....


I tried to reproduce the one of the presentation given in https://www.archer2.ac.uk/training/courses/201013-cp2k/

but It is ended with  WARNING : FFT library FFTW3 is not available  Trying FFTSG as a default

pl find the inp and out files

pl suggest the solution

your help greatly appreciated

thank you
With Regards
Dr. V. Vasantha Kumar
Assoc. Prof. of Physics
Vignan Institute of Technology and Science
You received this message because you are subscribed to the Google Groups "cp2k" group.
To unsubscribe from this group and stop receiving emails from it, send an email to cp... at googlegroups.com<mailto:cp... at googlegroups.com>.
To view this discussion on the web visit https://groups.google.com/d/msgid/cp2k/CAJeL8MaM3Nv%3Doi6v-Kft-3ScDjmgMrJN3eYRW0gYqGyb7HQi2w%40mail.gmail.com<https://groups.google.com/d/msgid/cp2k/CAJeL8MaM3Nv%3Doi6v-Kft-3ScDjmgMrJN3eYRW0gYqGyb7HQi2w%40mail.gmail.com?utm_medium=email&utm_source=footer>.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20201027/a3ea71d4/attachment.htm>

More information about the CP2K-user mailing list