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#1 2024-07-17 14:21:48
- Leo
- Member
- Registered: 2018-11-20
- Posts: 15
Customized Parallel Run
Dear Developers,
A curiosity. Is there any chance or tweak to instruct OpenMolcas, in a parallel run, to run different programs (i.e. &SEWARD, &RASSCF), with
a different number of processors each?
Thank you in advance,
Leo
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#2 2024-07-22 10:02:20
- Ignacio
- Administrator
- From: Uppsala
- Registered: 2015-11-03
- Posts: 1,085
Re: Customized Parallel Run
In general, no. The parallel environment must be the same, at least for SEWARD and the "main" program. You could, however, run SEWARD+RASSCF with some number of processes and SEWARD+CASPT2 with a different number, but that would be separate runs.
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