memory usage with linear profile
Asked by
John Sharley
Hi,
With this input.yaml
import: linear
dft:
hgrids: 0.4
rmult: [5.0, 7.0]
ixc: 11
lin_basis:
idsx: 4
and 284 atom posinp.xyz (PDB: 2JOF, taken from a frame of a TeraChem QMD run) with 1 MPI task and 8 OpenMP threads, memory use exceeds 32 GB.
Is there a set of options that modifies the linear profile that substantially reduces the memory use?
thanks again,
John
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