[molpro-user] Can CCSD/EOM-CCSD part be run in parallel using OMP/MPI hybrid scheme?

Evgeniy Gromov Evgeniy.Gromov at pci.uni-heidelberg.de
Fri May 17 16:31:19 BST 2013

Dear Developers and Users of Molpro,

I wonder if the CCSD/EOM-CCSD part of Molpro can use OMP (thread)
parallelization in addition to the MPI one (i.e. hybrid OMP/MPI)
and whether it is worth using it?
Many thanks!

Best regards,

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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