Integration of test bed, cuda_valence_angles bug fix and cuda_forces bug fix
Integrating the test bed I have been working on. Also integrates the bug fix in cuda_valence_angles. Also one little issue in cuda_forces has been resolved.
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- PG-PuReMD/src/cuda_forces.cu 11 additions, 7 deletionsPG-PuReMD/src/cuda_forces.cu
- PG-PuReMD/src/cuda_utils.cu 3 additions, 1 deletionPG-PuReMD/src/cuda_utils.cu
- PG-PuReMD/src/cuda_valence_angles.cu 575 additions, 537 deletionsPG-PuReMD/src/cuda_valence_angles.cu
- data/benchmarks/metal/ffield.zno 182 additions, 0 deletionsdata/benchmarks/metal/ffield.zno
- data/benchmarks/metal/parallel_control 44 additions, 0 deletionsdata/benchmarks/metal/parallel_control
- data/benchmarks/metal/zno_6912.pdb 6914 additions, 0 deletionsdata/benchmarks/metal/zno_6912.pdb
- test_harness/README 17 additions, 0 deletionstest_harness/README
- test_harness/bilayer_340800.geo 340802 additions, 0 deletionstest_harness/bilayer_340800.geo
- test_harness/bilayer_340800_control 44 additions, 0 deletionstest_harness/bilayer_340800_control
- test_harness/bilayer_56800.pdb 56802 additions, 0 deletionstest_harness/bilayer_56800.pdb
- test_harness/bilayer_56800_control 44 additions, 0 deletionstest_harness/bilayer_56800_control
- test_harness/bilayer_long_mpi.sh 42 additions, 0 deletionstest_harness/bilayer_long_mpi.sh
- test_harness/bilayer_long_mpi_gpu.sh 54 additions, 0 deletionstest_harness/bilayer_long_mpi_gpu.sh
- test_harness/dna.pdb 19737 additions, 0 deletionstest_harness/dna.pdb
- test_harness/dna_control 44 additions, 0 deletionstest_harness/dna_control
- test_harness/dna_mpi.sh 41 additions, 0 deletionstest_harness/dna_mpi.sh
- test_harness/ffield-bio 431 additions, 0 deletionstest_harness/ffield-bio
- test_harness/ffield-dna 384 additions, 0 deletionstest_harness/ffield-dna
- test_harness/ffield.water 364 additions, 0 deletionstest_harness/ffield.water
- test_harness/med_jobs.sh 161 additions, 0 deletionstest_harness/med_jobs.sh
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