[CP2K:1690] POISSON_SOLVER MT bug?

Teodoro Laino teodor... at gmail.com
Tue Jan 6 17:21:07 CET 2009


Dear Noam,

this has nothing to do with POISSON_SOLVER specifically. It's a 
combination of CUTOFF requested,
cell size, REL_CUTOFF for MT, etc.
MT works perfectly also for non-cubic cells.
In your case you can just change the cutoff or ask for a different 
REL_CUTOFF:
http://cp2k.berlios.de/manual/CP2K_INPUT/FORCE_EVAL/DFT/POISSON/MT.html#desc_REL_CUTOFF

Good Luck!
Teo

Noam wrote:
> I'm trying to run a nonperiodic system using the MT POISSON_SOLVER,
> and I get an fft error.
> Does anyone have any suggestions about what's going on?  I'm be happy
> to sent the input
> files to anyone interested in reproducing the problem.
>
>  
> thanks,
>  
> Noam
>
> P.S. Is it documented someplace that the wavelet solver only works for
> cubic
> cells?
>
>
>
>  CP2K| version string:                  CP2K version 2.0.0
> (Development Version)
>  CP2K| is freely available from                          http://cp2k.berlios.de/
>  CP2K| Program compiled at                          Fri Dec 19
> 11:58:22 EST 2008
>  CP2K| Program compiled
> on                                                hawk-0
>  CP2K| Program compiled for
> Linux-hawk
>  CP2K| Last CVS entry             topology_util.F/1.227/Thu Dec 18
> 23:07:06 2008
>  CP2K| Input file name
> cp2k_input.inp
>
> .
> .
> .
> .
>
>  *
>  *** ERROR in fft_radix_operations  ***
>  *
>
>
>  *** index to radix array not found  ***
>
>
>  ===== Routine Calling Stack =====
>
>             6 pw_env_rebuild
>             5 qs_env_rebuild_pw_env
>             4 qs_env_setup
>             3 qs_init_subsys
>             2 quickstep_create_force_env
>             1 CP2K
>  CP2K| Abnormal program termination, stopped by process number 0
>
>
> >
>   




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