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When computing the BSE kernel, the yambo code allocates in meory, at the same time:
the full BSE matrix
the wave-functions
the oscillators for exchange or correlation
This requires a lot of memory. On top of that, sometimes the full BSE matrix is also duplicated without distribution in memory.
See possible solution in issue #113
Different solutions are possible to limit the memory
the BSE matrix can be loaded in memory block by block at building time if I/O is on
(see branch https://github.com/sangallidavide/yambo/tree/tech-isolv-bse)
Only later, when the solver is called, the full BSE mat is loaded in memory, while reading from disk.
When computing the BSE kernel, the yambo code allocates in meory, at the same time:
This requires a lot of memory. On top of that, sometimes the full BSE matrix is also duplicated without distribution in memory.
See possible solution in issue #113
Different solutions are possible to limit the memory
the BSE matrix can be loaded in memory block by block at building time if I/O is on
(see branch https://github.com/sangallidavide/yambo/tree/tech-isolv-bse)
Only later, when the solver is called, the full BSE mat is loaded in memory, while reading from disk.
WFs can be loaded in memory k by k with a proper implementation. See also (discussion with @attacc):
2.a - k_extrema_only option in https://github.com/yambo-code/yambo/blob/tech-master/src/wf_and_fft/WF_load.F
2.b - implementation in https://github.com/sangallidavide/yambo/tree/feature-shifted-grid
oscillators can be loaded independently in exchange and correlation (see changes introduced with merge Tech bse #98 )
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