cp2k chooses unsupported FFT grids

Axel akoh... at gmail.com
Tue Jan 15 16:49:55 UTC 2008


hi!

i'm trying to run the 32 water quickstep benchmark on an IBM machine
with ESSL and the job stops with an error message, that a dimension of
110 is not supported. while the error makes sense (essl does not
support
roots of 11, only fftw), shouldn't the code pick a compatible number?
i specified FFTESSL explicitely as preferred library and it is
compiled in
(or else, there would be no error)...

any suggestions?

cheers,
    axel.


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