[CP2K-user] [CP2K:20712] out of memory: C3N4 (56 atoms) HES06 + RI-HFX + ADMM
yj jiang
rudin.jiang at gmail.com
Sun Sep 15 16:02:44 UTC 2024
Hi, I'm calculating band structure for C3N4 with a Ni atom (attachment). I
want to use HES06 + RI-HFX + ADMM. There is a "out of memory" error. How
can I address this? Thx. a lot.
I can access a hpc with max memory of 512G.
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