PG-PuReMD: fix performance logging code around GPU code. Rearrange header...
PG-PuReMD: fix performance logging code around GPU code. Rearrange header files to allow some preprocessor definitions to be defined via options in configure script. Rework Autoconf and Automake code to allow passing flags directly to nvcc compiler wrapper (for CUDA code). Enable C11 and C++11 standard targets during compilation.
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- Makefile.am 14 additions, 22 deletionsMakefile.am
- PG-PuReMD/src/allocate.c 8 additions, 3 deletionsPG-PuReMD/src/allocate.c
- PG-PuReMD/src/analyze.c 15 additions, 10 deletionsPG-PuReMD/src/analyze.c
- PG-PuReMD/src/basic_comm.c 6 additions, 1 deletionPG-PuReMD/src/basic_comm.c
- PG-PuReMD/src/bond_orders.c 6 additions, 2 deletionsPG-PuReMD/src/bond_orders.c
- PG-PuReMD/src/bonds.c 6 additions, 1 deletionPG-PuReMD/src/bonds.c
- PG-PuReMD/src/box.c 19 additions, 7 deletionsPG-PuReMD/src/box.c
- PG-PuReMD/src/comm_tools.c 3 additions, 3 deletionsPG-PuReMD/src/comm_tools.c
- PG-PuReMD/src/control.c 6 additions, 1 deletionPG-PuReMD/src/control.c
- PG-PuReMD/src/cuda/cuda_charges.cu 1 addition, 4 deletionsPG-PuReMD/src/cuda/cuda_charges.cu
- PG-PuReMD/src/cuda/cuda_forces.cu 20 additions, 9 deletionsPG-PuReMD/src/cuda/cuda_forces.cu
- PG-PuReMD/src/cuda/cuda_init_md.cu 11 additions, 25 deletionsPG-PuReMD/src/cuda/cuda_init_md.cu
- PG-PuReMD/src/cuda/cuda_integrate.cu 4 additions, 4 deletionsPG-PuReMD/src/cuda/cuda_integrate.cu
- PG-PuReMD/src/cuda/cuda_neighbors.cu 14 additions, 15 deletionsPG-PuReMD/src/cuda/cuda_neighbors.cu
- PG-PuReMD/src/cuda/cuda_neighbors.h 1 addition, 1 deletionPG-PuReMD/src/cuda/cuda_neighbors.h
- PG-PuReMD/src/driver.c 2 additions, 2 deletionsPG-PuReMD/src/driver.c
- PG-PuReMD/src/ffield.c 8 additions, 2 deletionsPG-PuReMD/src/ffield.c
- PG-PuReMD/src/forces.c 6 additions, 1 deletionPG-PuReMD/src/forces.c
- PG-PuReMD/src/geo_tools.c 59 additions, 59 deletionsPG-PuReMD/src/geo_tools.c
- PG-PuReMD/src/grid.c 0 additions, 2 deletionsPG-PuReMD/src/grid.c
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