[molpro-user] error occurs when running optg

[迷阳]

Hi-

I met some problems when running the optg on molpro, the job just stop when
reading or writing the geometry and does not take any further actions. It
could be some setup problem, but I can not figure out where the problem is.
Could you give me some suggestion on this?

the simplest input as
***,laO2 geometry optimization
           memory,1000,m

           r=2.21 ang
           a=67
           geometry={La;
                     O,  La,  r
                     O,  La,  r,   O,   a}
           basis=lanl2dz

           {rhf
           occ,7,2,5,1
           wf,27,1,3}

           optg
           ---
error message comes out as

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

 *** Long output written to logfile /scratch/batch/651799/LaO2_rhf.log ***

 Geometry optimization using default procedure for command RHF-SCF
 Geometry written to block  1 of record 700
Job ran on Machine=co-compute1

THE_END_OF_FILE
THE_END_OF_FILE
THE_END_OF_FILE
THE_END_OF_FILE
THE_END_OF_FILE
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://www.molpro.net/pipermail/molpro-user/attachments/20100429/fa20afff/attachment.html>