[molpro-user] GA Error: Fehler?
Dr Seth OLSEN
s.olsen1 at uq.edu.au
Thu Mar 3 01:15:14 GMT 2005
I am trying to do an MRCI calculation over a 2-state averaged CAS(6,6) wavefunction. The job ended with an error that I have not seen before:
Diagonal Coupling coefficients finished. Storage:******** words, CPU-Time: 22337.00 seconds.
Energy denominators for pairs finished in 1 passes. Storage:22140929 words, CPU-time: 17.61 seconds.
CIGSI: Paging mode=-1 Maximum states 1 Buffer length26780948
GA ERROR fehler
0: ARMCI aborting 0 (0).
tmp = /home1/seth/pdir//home1/seth/molpro2002.6/bin/molprop_2002_6_i8_amd64_tcgmsg.exe.p
Creating: host=star65, user=seth,
What does this error mean?
I have attached the entire output file for viewing - it echoes the input deck.
Dr Seth Olsen, PhD
Postdoctoral Fellow, Computational Systems Biology Group
Centre for Computational Molecular Science
The University of Queensland
Qld 4072, Brisbane, Australia
tel (617) 33653732
fax (617) 33654623
email: s.olsen1 at uq.edu.au
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