Dear Experts,
Is it mandatory that I should use same number of processor/pool in case of nscf ,phonon and epw calculation.If they are different, will it cause an incorrect result in epw.out.Please let me know.
Thanks and regards,
Anindya Bose
Issue due to number of pools between nscf and epw
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Re: Issue due to number of pools between nscf and epw
Hi Anindya,
The phonon calculation can be run with any number of cpus and pools you'd like, EPW will only read the saved files which are invariant.
Carla
The phonon calculation can be run with any number of cpus and pools you'd like, EPW will only read the saved files which are invariant.
Carla
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Re: Issue due to number of pools between nscf and epw
Dear Carla,
Should I make the nscf and epw in same number processor/pool or I can generate generate nscf data by simply choosing mpirun -np number and for epw mpirun -np number -npool.Is it ok?
Thanks and regards,
Anindya Bose
Should I make the nscf and epw in same number processor/pool or I can generate generate nscf data by simply choosing mpirun -np number and for epw mpirun -np number -npool.Is it ok?
Thanks and regards,
Anindya Bose
-
- Posts: 155
- Joined: Thu Jan 14, 2016 10:52 am
- Affiliation:
Re: Issue due to number of pools between nscf and epw
Hi Anindya,
You need the same number of processors and pools between the nscf and epw calculation.
Carla
You need the same number of processors and pools between the nscf and epw calculation.
Carla