[molpro-user] How to activate OpenMP ???

Evgeniy Gromov Evgeniy.Gromov at pci.uni-heidelberg.de
Thu Mar 31 10:16:15 BST 2011


I am trying (without any success) to make molpro2010.1 run
2 mpi + 6 OpenMP (threads) but I  do not see any
threads, only MPI processes. I tried both the "-t" option and
setting up OMP_NUM_THREADS=6 but got no effect. My starting
command is

molpro -n 2 -t 6 -m100m test.inp

Any idea what magic should one apply to make it run?



Dr. Evgeniy Gromov
Theoretische Chemie
Physikalisch-Chemisches Institut
Im Neuenheimer Feld 229
D-69120 Heidelberg

Telefon: +49/(0)6221/545263
Fax: +49/(0)6221/545221
E-mail: evgeniy at pci.uni-heidelberg.de

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