[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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