TURBOMOLE Users Forum

Installation and usage of TURBOMOLE => Parallel Runs => Topic started by: jlazare on August 24, 2015, 07:08:19 PM

Title: Utilization of more than 1 processors for RI-DFT M06-2x
Post by: jlazare on August 24, 2015, 07:08:19 PM

I cannot utilize more than one processors for RI-DFT m06-2x functional.  I tested the same process using BP86 functional and the calculations went through normally. Can anybody explain why m06-2x doesn't work for m06-2x functional? The output file is attached regarding this issue. These calculations are done on a one methane molecule.

Title: Re: Utilization of more than 1 processors for RI-DFT M06-2x
Post by: uwe on August 25, 2015, 10:51:55 AM

Hi,

parallel jobs under Windows with RI-J and hybrid functionals are not supported. You can either use the Linux version instead, switch off RI and run it in parallel under Windows too - or run it in serial mode.

Regards,

Uwe