MAXMEM: Difference between revisions

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the GW or RPA routines that can use excessive amounts of memory. It is recommended to set
the GW or RPA routines that can use excessive amounts of memory. It is recommended to set
MAXMEM to the available memory per core minus 200 Mbyte. For instance, if one node is equipped
MAXMEM to the available memory per core minus 200 Mbyte. For instance, if one node is equipped
with 12 Gbyte, and 6 MPI ranks share this memory, the recommended setting is 12000/6-200 = 1800.
with 12 Gbyte, and 6 MPI ranks share this memory, the recommended setting is 12*1024/6-200 = 1848.


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Revision as of 16:14, 6 August 2019

MAXMEM = [integer]
Default: MAXMEM = 2800 

Description: MAXMEM specifies the maximum memory one MPI rank will attempt to allocate (in MByte). Since, the default varies somewhat between VASP versions, it is safer to set this flag manually. Currently the flag is only inspected in few selected routines, such as the GW or RPA routines that can use excessive amounts of memory. It is recommended to set MAXMEM to the available memory per core minus 200 Mbyte. For instance, if one node is equipped with 12 Gbyte, and 6 MPI ranks share this memory, the recommended setting is 12*1024/6-200 = 1848.


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