Refactor: replace cudamalloc and cudafree with cuda_mem_wrapper #4347

dzzz2001 · 2024-06-11T09:19:38Z

modified the GPU memory allocation strategy, which overall reduced the GPU memory consumption for grid integration calculation.
unified variable names in the GPU code of gint.
optimize some functions.

source/module_hamilt_lcao/module_gint/gint_force_gpu.cu

source/module_hamilt_lcao/module_gint/gint_vl_gpu.cu

dzzz2001 and others added 12 commits June 7, 2024 14:56

remove redundant include

072275c

remove redundant argument

ba755c1

modify the GPU memory allocation approach in gint_rho_gpu.cu

b89bdc7

modify the GPU memory allocation approach in gint_vl_gpu.cu

2b46da4

modify the GPU memory allocation approach in gint_force_gpu

f54d35b

remove redundant variable and optimize psir_dot_force

ef16dc6

rename some variables

be4dbf7

fix a initialization error

673e66d

Merge branch 'develop' into optimize

177e5f4

fix a testing bug

b72a9cc

add checkCudaLastError

47dc319

rename some parameters

119efbf

mohanchen reviewed Jun 11, 2024

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source/module_hamilt_lcao/module_gint/gint_force_gpu.cu Outdated Show resolved Hide resolved

mohanchen added the GPU & DCU & HPC GPU and DCU and HPC related any issues label Jun 11, 2024

dzzz2001 and others added 2 commits June 11, 2024 22:02

add const qualifiers

aa40b69

Merge branch 'develop' into optimize

bf1a25b

A-006 reviewed Jun 12, 2024

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source/module_hamilt_lcao/module_gint/gint_vl_gpu.cu Show resolved Hide resolved

mohanchen approved these changes Jun 12, 2024

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mohanchen merged commit 0a59b30 into deepmodeling:develop Jun 12, 2024
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