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Issue due to number of pools between nscf and epw 
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Joined: Sat Mar 03, 2018 7:37 am
Posts: 75
University: IIIT Allahabad
Post Issue due to number of pools between nscf and epw
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


Sun Aug 05, 2018 10:06 pm
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Joined: Thu Jan 14, 2016 10:52 am
Posts: 152
University: University of Vienna
Post 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


Mon Aug 06, 2018 10:15 am
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Joined: Sat Mar 03, 2018 7:37 am
Posts: 75
University: IIIT Allahabad
Post 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


Mon Aug 06, 2018 11:16 am
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Joined: Thu Jan 14, 2016 10:52 am
Posts: 152
University: University of Vienna
Post 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


Mon Aug 06, 2018 11:23 am
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