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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