The MEMORY consumption of HYBRID-DFT calculation of periodic system

Conrad cjohns... at
Mon May 30 09:25:00 UTC 2016

Dear Rizwan, 

Are you sure you have 64 GB of RAM per core, and not per node? 64GB per 
node would be much more typical?
Additionally 16 cores per node sounds more likely than 16 processors per 

Assuming it should be 64 GB per node, one comment on your input - you've 
set MAX_MEMORY to 5000, but this is the memory available
per core, not per node. It's likely you have only 4096 MB available per 
core, and you do not want all of 
this memory assigned to the HF routines as the rest of the code will need 
some memory.

Check your computer's specs and check if this is a reasonable value for 
this first.

Best regards,
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