PG-PuReMD: fix warnings (and errors) from several uninitialized memory regions...
PG-PuReMD: fix warnings (and errors) from several uninitialized memory regions due to multiple stream change. Fix race condition with valence angle computation due to mistake with dynamic shared memory. Add control file parameter for setting the number of CUDA streams. Other code clean-up.
Showing
- PG-PuReMD/src/basic_comm.c 16 additions, 16 deletionsPG-PuReMD/src/basic_comm.c
- PG-PuReMD/src/comm_tools.c 4 additions, 4 deletionsPG-PuReMD/src/comm_tools.c
- PG-PuReMD/src/control.c 13 additions, 0 deletionsPG-PuReMD/src/control.c
- PG-PuReMD/src/cuda/cuda_allocate.cu 11 additions, 3 deletionsPG-PuReMD/src/cuda/cuda_allocate.cu
- PG-PuReMD/src/cuda/cuda_allocate.h 2 additions, 2 deletionsPG-PuReMD/src/cuda/cuda_allocate.h
- PG-PuReMD/src/cuda/cuda_bond_orders.cu 8 additions, 6 deletionsPG-PuReMD/src/cuda/cuda_bond_orders.cu
- PG-PuReMD/src/cuda/cuda_bonds.cu 16 additions, 15 deletionsPG-PuReMD/src/cuda/cuda_bonds.cu
- PG-PuReMD/src/cuda/cuda_charges.cu 2 additions, 2 deletionsPG-PuReMD/src/cuda/cuda_charges.cu
- PG-PuReMD/src/cuda/cuda_copy.cu 9 additions, 6 deletionsPG-PuReMD/src/cuda/cuda_copy.cu
- PG-PuReMD/src/cuda/cuda_environment.cu 81 additions, 41 deletionsPG-PuReMD/src/cuda/cuda_environment.cu
- PG-PuReMD/src/cuda/cuda_environment.h 2 additions, 0 deletionsPG-PuReMD/src/cuda/cuda_environment.h
- PG-PuReMD/src/cuda/cuda_forces.cu 76 additions, 51 deletionsPG-PuReMD/src/cuda/cuda_forces.cu
- PG-PuReMD/src/cuda/cuda_hydrogen_bonds.cu 68 additions, 71 deletionsPG-PuReMD/src/cuda/cuda_hydrogen_bonds.cu
- PG-PuReMD/src/cuda/cuda_init_md.cu 4 additions, 3 deletionsPG-PuReMD/src/cuda/cuda_init_md.cu
- PG-PuReMD/src/cuda/cuda_multi_body.cu 6 additions, 5 deletionsPG-PuReMD/src/cuda/cuda_multi_body.cu
- PG-PuReMD/src/cuda/cuda_nonbonded.cu 98 additions, 100 deletionsPG-PuReMD/src/cuda/cuda_nonbonded.cu
- PG-PuReMD/src/cuda/cuda_reset_tools.cu 3 additions, 0 deletionsPG-PuReMD/src/cuda/cuda_reset_tools.cu
- PG-PuReMD/src/cuda/cuda_spar_lin_alg.cu 8 additions, 12 deletionsPG-PuReMD/src/cuda/cuda_spar_lin_alg.cu
- PG-PuReMD/src/cuda/cuda_system_props.cu 1 addition, 1 deletionPG-PuReMD/src/cuda/cuda_system_props.cu
- PG-PuReMD/src/cuda/cuda_torsion_angles.cu 80 additions, 79 deletionsPG-PuReMD/src/cuda/cuda_torsion_angles.cu
Loading
Please register or sign in to comment