memory consumption in cubic scaling GW

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xiaoming_wang · #1 Post by **xiaoming_wang** » Sun Apr 25, 2021 11:03 pm

Hello,

Is there any difference for the implementations of cubic scaling GW in vasp 5.4.4 compared with vasp6? From my personal experiences, it seems that vasp6 consumes much more memory than vasp5.4.4, because for many systems with same settings, vasp5.4.4 could run successfully but vasp6 would abort with oom error.

Best,
Xiaoming

#2 Post by **ferenc_karsai** » Mon Apr 26, 2021 9:23 am

There is no cubic scaling GW in VASP 5.4.4.

Can you please specify what exactly you compared?

#3 Post by **ferenc_karsai** » Mon Apr 26, 2021 9:26 am

In general the low scaling GW can have larger memory dependence than the convential GW implementation.

xiaoming_wang · #4 Post by **xiaoming_wang** » Mon Apr 26, 2021 1:23 pm

In vasp5.4.4 by setting

Code: Select all

ALGO = GW0R
NELM = 1
NOMEGA = 12
NOMEGAR = 0

we can run the cubic scaling GW, right?

#5 Post by **ferenc_karsai** » Tue May 04, 2021 8:00 am

It's a dummy routine, the cubic scaling GW is not available in VASP 5.x.

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memory consumption in cubic scaling GW

memory consumption in cubic scaling GW

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