[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,
Evgeniy
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_______________________________________
Dr. Evgeniy Gromov
Theoretische Chemie
Physikalisch-Chemisches Institut
Im Neuenheimer Feld 229
D-69120 Heidelberg
Germany
Telefon: +49/(0)6221/545263
Fax: +49/(0)6221/545221
E-mail: evgeniy at pci.uni-heidelberg.de
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