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Issue due to number of pools between nscf and epw
Posted: Sun Aug 05, 2018 10:06 pm
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
Re: Issue due to number of pools between nscf and epw
Posted: Mon Aug 06, 2018 10:15 am
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
Re: Issue due to number of pools between nscf and epw
Posted: Mon Aug 06, 2018 11:16 am
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
Re: Issue due to number of pools between nscf and epw
Posted: Mon Aug 06, 2018 11:23 am
by carla.verdi
Hi Anindya,
You need the same number of processors and pools between the nscf and epw calculation.
Carla