PG-PuReMD: re-write MPI code to dynamically allocate buffer sizes. Other general code refactoring.
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- PG-PuReMD/src/allocate.c 5 additions, 175 deletionsPG-PuReMD/src/allocate.c
- PG-PuReMD/src/allocate.h 0 additions, 2 deletionsPG-PuReMD/src/allocate.h
- PG-PuReMD/src/basic_comm.c 234 additions, 256 deletionsPG-PuReMD/src/basic_comm.c
- PG-PuReMD/src/comm_tools.c 210 additions, 471 deletionsPG-PuReMD/src/comm_tools.c
- PG-PuReMD/src/comm_tools.h 10 additions, 6 deletionsPG-PuReMD/src/comm_tools.h
- PG-PuReMD/src/cuda/cuda_allocate.cu 2 additions, 56 deletionsPG-PuReMD/src/cuda/cuda_allocate.cu
- PG-PuReMD/src/cuda/cuda_box.cu 1 addition, 1 deletionPG-PuReMD/src/cuda/cuda_box.cu
- PG-PuReMD/src/cuda/cuda_copy.cu 27 additions, 30 deletionsPG-PuReMD/src/cuda/cuda_copy.cu
- PG-PuReMD/src/cuda/cuda_init_md.cu 3 additions, 19 deletionsPG-PuReMD/src/cuda/cuda_init_md.cu
- PG-PuReMD/src/cuda/cuda_integrate.cu 193 additions, 244 deletionsPG-PuReMD/src/cuda/cuda_integrate.cu
- PG-PuReMD/src/cuda/cuda_integrate.h 1 addition, 1 deletionPG-PuReMD/src/cuda/cuda_integrate.h
- PG-PuReMD/src/forces.c 0 additions, 1 deletionPG-PuReMD/src/forces.c
- PG-PuReMD/src/geo_tools.c 4 additions, 3 deletionsPG-PuReMD/src/geo_tools.c
- PG-PuReMD/src/grid.c 0 additions, 6 deletionsPG-PuReMD/src/grid.c
- PG-PuReMD/src/init_md.c 15 additions, 12 deletionsPG-PuReMD/src/init_md.c
- PG-PuReMD/src/integrate.c 2 additions, 2 deletionsPG-PuReMD/src/integrate.c
- PG-PuReMD/src/io_tools.c 0 additions, 50 deletionsPG-PuReMD/src/io_tools.c
- PG-PuReMD/src/io_tools.h 0 additions, 2 deletionsPG-PuReMD/src/io_tools.h
- PG-PuReMD/src/puremd.c 8 additions, 8 deletionsPG-PuReMD/src/puremd.c
- PG-PuReMD/src/reax_types.h 22 additions, 46 deletionsPG-PuReMD/src/reax_types.h
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