ERROR in fft_radix_operations

Jun chen... at googlemail.com
Tue Feb 23 01:05:27 CET 2010


Hi all,

I am investigating some sort of finite size effect which requires
modeling of a box with dimensions up to 10*10*120 angstrom^3. This
leads to an error message like:
 *
 *** ERROR in fft_radix_operations  ***
 *


 *** index to radix array not found  ***


 ===== Routine Calling Stack =====

            7 pw_grid_setup
            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


The same input files except for dimensions 10*10*80 or less work fine.
This seems to relate with the grid cutoff for converting charge
density in reciprocal space. How can I fix it? Many thanks in advace.

Cheers,
Jun



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