[molpro-user] CASSCF error

Эльдар Мамин yeldar443 at mail.ru
Mon Feb 4 07:34:06 GMT 2013


 Dear developers and users of MolPro,

i always recieve the following error in my CASSCF(10,9)/aug-cc-pvdz launch

 PROGRAM * OPT (Geometry optimization)     Authors: F. Eckert and H.-J. Werner


 *** Long output written to logfile /wrk/vasily/MOLPRO/1/ts1.log ***


 Geometry optimization using default procedure for command MULTI

 Geometry written to block  1 of record 700

 GETMEM ERROR IN GETMEM  HerR  Free

 GLOBAL ERROR fehler on processor   0                                         


What is wrong in my INPUT. Script, input, out, xml are applied.
Best regards,
Eldar
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