[QE-users] Memory requirement for open_grid.x

[Zeeshan Ahmad]

Hi,

I am working with a ~800 electron system and the memory requirement seems to be > 1 TB, much higher than that of the scf calculation itself (~130 GB). Is this expected? Are there ways to reduce the memory requirement?

I am running open_grid.x using mpirun: mpirun -np ncores open_grid.x -i opengrid.in > opengrid.out

with ~4 GB/core memory.

Thanks,
Zeeshan
--
Zeeshan Ahmad
Postdoctoral Researcher
Pritzker School of Molecular Engineering
University of Chicago

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