[molpro-user] running parallel GA Molpro from under Torque?

Andy May MayAJ1 at cardiff.ac.uk
Wed Nov 27 21:12:16 GMT 2013


Did you ensure that the MPI executables were in PATH, eg. mpiexec, mpicc 
etc.? Molpro tries to determine the MPI vendor by running the MPI 
compiler with options like -link_info and --showme:link, but if they 
aren't in PATH then it will fail.

Best wishes,


On 27/11/13 20:54, Grigory Shamov wrote:
> Dear Andy,
> Oops, sorry. Nevermind the previous email! If I specify the GA build path
> as you told me, instead of the GA installed path, it passes a bit further,
> but then
> parallel=
> unable to determine parallel type
> Is there a special flag or environment variable there to specify this
> parallel thing?

More information about the Molpro-user mailing list