[molpro-user] BAD TERMINATION
ugrbzky at gmail.com
Sat Aug 15 18:06:44 BST 2015
Dear molpro users,
I can run casscf or caspt2 single point energy computations in the parallel
mode. However, when I try to run geometry optimization with casscf or
caspt2 in the parallel mode I got the following error:
"BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES"
However, in the serial mode, I can run geometry optimizations. Similarly,
for ccsd I can run single point energies in the parallel mode, however for
ccsd(t) I got the same error.
I run all these jobs with a recent binary of molpro (mpp version) and I run
them on the linux (Centos 6). Is there any idea what is going wrong in
Assoc. Prof. Ugur Bozkaya
Department of Chemistry,
25240 Erzurum, Turkey,
Tel: +90 442 231 41 14,
E-mail: ugrbzky at gmail.com,
ugur.bozkaya at atauni.edu.tr.
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