PG-PuReMD: add BiCGStab solver for GPU code. Corrections to CUDA block and...
PG-PuReMD: add BiCGStab solver for GPU code. Corrections to CUDA block and thread sizes for some kernels. Fix some variables being used with uninitialized values.
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- PG-PuReMD/src/allocate.c 1 addition, 1 deletionPG-PuReMD/src/allocate.c
- PG-PuReMD/src/cuda/cuda_allocate.cu 49 additions, 11 deletionsPG-PuReMD/src/cuda/cuda_allocate.cu
- PG-PuReMD/src/cuda/cuda_charges.cu 12 additions, 0 deletionsPG-PuReMD/src/cuda/cuda_charges.cu
- PG-PuReMD/src/cuda/cuda_forces.cu 28 additions, 23 deletionsPG-PuReMD/src/cuda/cuda_forces.cu
- PG-PuReMD/src/cuda/cuda_init_md.cu 21 additions, 15 deletionsPG-PuReMD/src/cuda/cuda_init_md.cu
- PG-PuReMD/src/cuda/cuda_nonbonded.cu 18 additions, 13 deletionsPG-PuReMD/src/cuda/cuda_nonbonded.cu
- PG-PuReMD/src/cuda/cuda_spar_lin_alg.cu 422 additions, 197 deletionsPG-PuReMD/src/cuda/cuda_spar_lin_alg.cu
- PG-PuReMD/src/cuda/cuda_spar_lin_alg.h 5 additions, 0 deletionsPG-PuReMD/src/cuda/cuda_spar_lin_alg.h
- PG-PuReMD/src/cuda/cuda_system_props.cu 10 additions, 27 deletionsPG-PuReMD/src/cuda/cuda_system_props.cu
- PG-PuReMD/src/cuda/cuda_utils.cu 3 additions, 16 deletionsPG-PuReMD/src/cuda/cuda_utils.cu
- PG-PuReMD/src/cuda/cuda_utils.h 0 additions, 2 deletionsPG-PuReMD/src/cuda/cuda_utils.h
- PG-PuReMD/src/reax_types.h 12 additions, 30 deletionsPG-PuReMD/src/reax_types.h
- configure.ac 1 addition, 1 deletionconfigure.ac
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