Issue due to number of pools between nscf and epw

General discussion around the EPW software

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anindya@iiita
Posts: 75
Joined: Sat Mar 03, 2018 7:37 am
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Issue due to number of pools between nscf and epw

Post by anindya@iiita »

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
carla.verdi
Posts: 155
Joined: Thu Jan 14, 2016 10:52 am
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Re: Issue due to number of pools between nscf and epw

Post by carla.verdi »

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
anindya@iiita
Posts: 75
Joined: Sat Mar 03, 2018 7:37 am
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Re: Issue due to number of pools between nscf and epw

Post by anindya@iiita »

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
carla.verdi
Posts: 155
Joined: Thu Jan 14, 2016 10:52 am
Affiliation:

Re: Issue due to number of pools between nscf and epw

Post by carla.verdi »

Hi Anindya,

You need the same number of processors and pools between the nscf and epw calculation.

Carla
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