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

Evgeniy Gromov Evgeniy.Gromov at pci.uni-heidelberg.de
Thu Mar 31 12:24:35 BST 2011

Hi Gerald,

Thanks for your response! Could you say what programs/methods
support OpenMP.

Best regards,

Gerald Knizia wrote:
> On Thursday 31 March 2011 11:16, Evgeniy Gromov wrote:
>> 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?
> This only works when molpro was compiled with OpenMP-support (-openmp in 
> configure). However, at this moment there are only very few programs which 
> actually use OpenMP-parallelization, so this may not be worth the effort.

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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