MAXMEM: Difference between revisions
No edit summary |
No edit summary |
||
| Line 6: | Line 6: | ||
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 | with 12 Gbyte, and 6 MPI ranks share this memory, the recommended setting is 12*1024/6-200 = 1848. | ||
---- | ---- | ||
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.