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Parallel Runs
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Where rimp2_mpi in Turbomole 5.10 ?
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Topic: Where rimp2_mpi in Turbomole 5.10 ? (Read 10319 times)
cest_la_vie
Newbie
Posts: 7
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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,
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Arnim
Developers
Sr. Member
Posts: 253
Karma: +0/-0
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
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Where rimp2_mpi in Turbomole 5.10 ?