[molpro-user] How good is GPU-boost in Molpro, in particular for CCSD, EOM-CCSD calculations

Evgeniy Gromov Evgeniy.Gromov at pci.uni-heidelberg.de
Mon Jun 10 16:47:21 BST 2013

Dear Developers and Users of Molpro,

I wonder if someone has tried/tested the performance of
Molpro boosted by GPUs (Tesla). I am interested in particular
in speed up for CCSD and EOM-CCSD calculations.

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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