[CP2K-user] how could the RAM for ADMM be negative number
Sun Geng
gengs... at gmail.com
Thu Jan 28 15:01:06 UTC 2021
Dear CP2K users,
I am running jobs with CP2K/ADMM method, in which the CP2k prints the
following lines:
HFX_MEM_INFO| Number of cart. primitive ERI's calculated:
52451602395221
HFX_MEM_INFO| Number of sph. ERI's calculated:
2343013195064
HFX_MEM_INFO| Number of sph. ERI's stored in-core:
2247108266900
HFX_MEM_INFO| Number of sph. ERI's stored on disk:
0
HFX_MEM_INFO| Number of sph. ERI's calculated on the fly:
0
HFX_MEM_INFO| Total memory consumption ERI's RAM [MiB]:
-449594
HFX_MEM_INFO| Whereof max-vals [MiB]:
17729
HFX_MEM_INFO| Total compression factor ERI's RAM:
-38.13
HFX_MEM_INFO| Total memory consumption ERI's disk [MiB]:
0
HFX_MEM_INFO| Total compression factor ERI's disk:
0.00
HFX_MEM_INFO| Size of density/Fock matrix [MiB]:
408
HFX_MEM_INFO| Size of buffers [MiB]:
25
HFX_MEM_INFO| Number of periodic image cells considered:
33
HFX_MEM_INFO| Est. max. program size after HFX [MiB]:
31121
The total memory consumption ERI's RAM is a negative number.
Why it is a negative number?
How can I know the real RAM consumption in this job?
Thank you very much in advance.
Best
Geng
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