TURBOMOLE Users Forum

Installation and usage of TURBOMOLE => Parallel Runs => Topic started by: cest_la_vie on July 17, 2008, 12:31:34 AM

Title: Where rimp2_mpi in Turbomole 5.10 ?
Post by: cest_la_vie on July 17, 2008, 12:31:34 AM

Hi,

In turbomole v5.10

Code: [Select]

TURBOMOLE/mpirun_scripts> ls
dscf  grad  mpgrad  rdgrad  ricc2  riccprep  ridft

There's no rimp2, and i can't find rimp2_mpi else where ???
How to run parallel rimp2 ?
Anyway, I would like to perform rimp2 single point calculation with COSMO.
Any suggestion ?

Best,

Title: Re: Where rimp2_mpi in Turbomole 5.10 ?
Post by: Arnim on July 21, 2008, 11:20:51 PM

Hi,

the parallel RI-MP2 is implemented in the ricc2 program, but RI-MP2 COSMO is only implemented in the rimp2 program at the moment. This is a bit confusing. There are efforts to combine the functionalities.

Best,
Arnim