[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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