Memory Issue with ALGO=ACFDTR
Posted: Wed Dec 07, 2022 10:08 am
Dear developers,
I ran into an unexpected memory usage problem while calculating RPA using ALGO=ACFDTR.
In the calculation using 56 processes per node, the memory usage after assigning 28 processes to each node is more than twice as large as the memory usage after giving 56 processes to one node.
In the calculation using one node, each process consumes approximately 2 gigabytes of memory, so I expected similar or slightly larger memory usage (because of the communication buffer between nodes) for two or more nodes, but more than double (approximately 6 gigabytes) I thought the usage was abnormal.
After checking the memory through OUTCAR as well as directly through the terminal, I found that this was not just a reporting issue.
Below is the INCAR that I used.
Thanks.
I ran into an unexpected memory usage problem while calculating RPA using ALGO=ACFDTR.
In the calculation using 56 processes per node, the memory usage after assigning 28 processes to each node is more than twice as large as the memory usage after giving 56 processes to one node.
In the calculation using one node, each process consumes approximately 2 gigabytes of memory, so I expected similar or slightly larger memory usage (because of the communication buffer between nodes) for two or more nodes, but more than double (approximately 6 gigabytes) I thought the usage was abnormal.
After checking the memory through OUTCAR as well as directly through the terminal, I found that this was not just a reporting issue.
Below is the INCAR that I used.
Code: Select all
NPAR = 56; KPAR = 1
ALGO = ACFDTR; PREC = Accurate; ISTART = 1
ENCUT = 400; ISMEAR = 0; SIGMA = 0.05
NBANDS = 7952
NOMEGA = 24; ENCUTGW = 200
LWAVE = .FALSE.; LCHARG = .FALSE.
