Enable GPU-supported RGF calculation by adding 'rgf_device' - #29

Merged

AsymmetryChou merged 13 commits into

deepmodeling:mainfrom

AsymmetryChou:rgf_acc

Jun 14, 2026

Commits on Jun 13, 2026

add runner_device in NEGF.py
AsymmetryChou
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f6207dd
add runner_device in density.py
AsymmetryChou
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ce2ad8d
add runner_device in device_property.py
AsymmetryChou
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406b6f7
add runner_device in negf_hamilotnian initialization
AsymmetryChou
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ebc24ba
add runner_device in run.py entrypoints
AsymmetryChou
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9e6c0bb
transfer to cpu before hamiltonian saved
AsymmetryChou
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5a05ad3

Commits on Jun 14, 2026

add rgf_device; all steps except RGF is on CPU now.
AsymmetryChou
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e613bce
update examples
AsymmetryChou
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70579ff
move necessary green's function in cuda
AsymmetryChou
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670009d
rename DeviceProperty.device as rgf_device
AsymmetryChou
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5be1769
update docstring and temp var
AsymmetryChou
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1cffa9b
add TODO for OOM in RGF
AsymmetryChou
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d538abf
update example: add GPU vs. CPU benchmark
AsymmetryChou
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564da00