QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: jdgayles16 on September 15, 2010, 21:54

Title: memory?
Post by: jdgayles16 on September 15, 2010, 21:54

Question?
I am running similar systems, one with smaller leads and less surface layers. About 100 atoms are taken out of the central region and the mesh cuttoff is 80 Ryd for both. However both systems use the same amount of memory.

Title: Re: memory?
Post by: Anders Blom on September 16, 2010, 16:22

The primary factor controlling the peak memory usage are the 3D grids, not the number of atoms, at least on this scale.