cp2k chooses unsupported FFT grids

Axel akoh... at gmail.com
Tue Jan 15 17:40:45 UTC 2008

hi again,

small correction, after sprinkling a few debug prints into the code i
that the code picks a dimension of 100 and then suggests to use 110.
my bad, i'm too used to fftw grids obviously. however, the main
remains. 100 is not listed as supported by fftessl, so how come it can
select it?
with -O2 i'm not exactly using an aggressive optimization...


On Jan 15, 4:49 pm, Axel <akoh... at gmail.com> wrote:
> 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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