Fixing cholesky error

Ilya ikupc... at gmail.com
Sat Apr 10 18:34:36 UTC 2010


Hello.

If you got something like

 *** 22:26:50 ERRORL2 in cp_fm_cholesky:cp_fm_cholesky_decompose
processor  ***
 ***      0  err=-300  condition FAILED at line
92                          ***
 *

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

           11 cp_fm_cholesky_decompose
           10 make_full_all
            9 make_preconditioner
            8 init_scf_loop
            7 scf_env_do_scf
            6 qs_energies_scf
            5 qs_forces
            4 cp_eval_at
            3 geoopt_bfgs
            2 cp_geo_opt
            1 CP2K

when switching from DZVP to TZVP, set PRECONDITIONER NONE in your &OT
section.

Thank you.



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