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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