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

[Andy May]

Evgeniy,

Hardly any of Molpro contains OMP parallelization so I would recommend 
to stick to MPI only. OMP builds place an extra restriction that the 
Fortran and C/C++ compilers have to be the same vendor otherwise you 
will get garbage results (hopefully configure should catch that and warn 
you).

Best wishes,

Andy

On 17/05/13 16:31, Evgeniy Gromov wrote:
> 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
>