Is it possible to run the EPW with npools 1

Post here questions linked with issue while running the EPW code

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zega14
Posts: 8
Joined: Wed Oct 21, 2020 8:05 pm
Affiliation: University of Arkansas

Is it possible to run the EPW with npools 1

Post by zega14 »

Dear All

I hope everyone is doing great. EPW is running with np = npools for nscf and epw run. I am wondering if it is possible to run with the same processor but using npools equal one. In my case, the HPC I am using is fast when npools are set to equal to one. Thank you.


Sincerely, Zegnet

hpaudya1
Posts: 71
Joined: Tue Mar 21, 2017 7:11 pm
Affiliation:

Re: Is it possible to run the EPW with npools 1

Post by hpaudya1 »

Hi Zegnet,

Yes, it is possible when you set np = 1. But when you use more number of processors, np should be equal to npools.

Best,
Hari

hlee
Posts: 243
Joined: Thu Aug 03, 2017 12:24 pm
Affiliation: The University of Texas at Austin

Re: Is it possible to run the EPW with npools 1

Post by hlee »

Dear Zegnet:
I am wondering if it is possible to run with the same processor but using npools equal one. In my case, the HPC I am using is fast when npools are set to equal to one.
It seems to me that you are saying OpenMP parallelization. The current version of EPW doesn't employ OpenMP parallelization, so the total number of cores must be equal to the number of k pools times the number of images (calculations on coarse grids, but this image parallelization is not convenient) or the number of k pools (whole calculations).

Sincerely,

H. Lee

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