Author Topic: Where rimp2_mpi in Turbomole 5.10 ?  (Read 5481 times)

cest_la_vie

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Where rimp2_mpi in Turbomole 5.10 ?
« 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,

Arnim

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Re: Where rimp2_mpi in Turbomole 5.10 ?
« Reply #1 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