Memory RAM usage
Posted: Fri Apr 10, 2015 1:25 pm
Dear all,
Im doing same test calculations with BN.
My PWscf file has
I am just wondering if it is normal, for a system like BN, the memory RAM usage at the beginning (i think at the point it is calculating the HF energies) using like 30GB of memory RAM?
after HF energies it drops to 2GB. Here is the yambo file:
And if increase bands of Polarization function bands and G[W] bands range by 50, the memory RAM increases a lot. But the thing is that this happens only at the beginning, because when it is computing the qp energies the memory ram usage is so low.
Im doing same test calculations with BN.
My PWscf file has
Code: Select all
ecut = 50Ry, and 12x12x1 K pointsI am just wondering if it is normal, for a system like BN, the memory RAM usage at the beginning (i think at the point it is calculating the HF energies) using like 30GB of memory RAM?
after HF energies it drops to 2GB. Here is the yambo file:
Code: Select all
em1s # [R Xs] Static Inverse Dielectric Matrix
gw0 # [R GW] GoWo Quasiparticle energy levels
cohsex # [R Xp] COlumb Hole Screened EXchange
HF_and_locXC # [R XX] Hartree-Fock Self-energy and Vxc
ElecTemp= 0.02585 eV # Electronic Temperature
EXXRLvcs= 20595 RL # [XX] Exchange RL components
Chimod= "hartree" # [X] IP/Hartree/ALDA/LRC/BSfxc
% BndsRnXs
1 | 100 | # [Xs] Polarization function bands
%
NGsBlkXs= yy RL # [Xs] Response block size
% LongDrXs
1.000000 | 0.000000 | 0.000000 | # [Xs] [cc] Electric Field
%
% GbndRnge
1 | 100 | # [GW] G[W] bands range
%
%QPkrange # [GW] QP generalized Kpoint/Band indices
1| 19| 1|100|
%
%QPerange # [GW] QP generalized Kpoint/Energy indices
1| 19| 0.0|-1.0|