PG-PuReMD: add CUB (v1.6.4) for optimized CUDA primitives. Change three-body lists to use CUB.
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- .gitmodules 4 additions, 0 deletions.gitmodules
- PG-PuReMD/src/allocate.c 12 additions, 10 deletionsPG-PuReMD/src/allocate.c
- PG-PuReMD/src/cub 1 addition, 0 deletionsPG-PuReMD/src/cub
- PG-PuReMD/src/cuda_allocate.cu 3 additions, 0 deletionsPG-PuReMD/src/cuda_allocate.cu
- PG-PuReMD/src/cuda_forces.cu 31 additions, 46 deletionsPG-PuReMD/src/cuda_forces.cu
- PG-PuReMD/src/cuda_neighbors.cu 16 additions, 9 deletionsPG-PuReMD/src/cuda_neighbors.cu
- PG-PuReMD/src/cuda_reduction.cu 92 additions, 17 deletionsPG-PuReMD/src/cuda_reduction.cu
- PG-PuReMD/src/cuda_reduction.h 1 addition, 0 deletionsPG-PuReMD/src/cuda_reduction.h
- PG-PuReMD/src/cuda_reset_tools.cu 0 additions, 1 deletionPG-PuReMD/src/cuda_reset_tools.cu
- PG-PuReMD/src/cuda_valence_angles.cu 9 additions, 17 deletionsPG-PuReMD/src/cuda_valence_angles.cu
- PG-PuReMD/src/init_md.c 1 addition, 2 deletionsPG-PuReMD/src/init_md.c
- PG-PuReMD/src/parallelreax.c 1 addition, 1 deletionPG-PuReMD/src/parallelreax.c
- PG-PuReMD/src/reax_types.h 1 addition, 0 deletionsPG-PuReMD/src/reax_types.h
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