[CP2K:1690] POISSON_SOLVER MT bug?
teodor... at gmail.com
Tue Jan 6 17:21:07 CET 2009
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
> 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.
> P.S. Is it documented someplace that the wavelet solver only works for
> 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
> CP2K| Last CVS entry topology_util.F/1.227/Thu Dec 18
> 23:07:06 2008
> CP2K| Input file name
> *** 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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