TURBOMOLE Users Forum

TURBOMOLE Modules => Aoforce and Numforce => Topic started by: evgeniy on October 21, 2016, 01:01:16 PM

Title: Use of SMP threads during freq calculations with NumForce
Post by: evgeniy on October 21, 2016, 01:01:16 PM

Hello,

I wonder how one can use SMP threads when running freq. calculations with the NumForce script.
I mean instead of running for instance a serial ricc2 binary I would like to use a SMP ricc2 binary.
How I could achieve this?

Best regards,
Evgeniy

Title: Re: Use of SMP threads during freq calculations with NumForce
Post by: christof.haettig on November 17, 2016, 05:25:03 PM

Does it not work automatically if you set PARA_ARCH=SMP before you start NumForce?

Christof