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Unverified Commit 7a86940e authored by Gao, Xiang's avatar Gao, Xiang Committed by GitHub
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Emit nvtx for neighbor_pairs_nopbc (#435)

parent f8edffe3
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tools/md-benchmark-nsys-profile.py
View file @ 7a86940e
......@@ -35,6 +35,7 @@ torchani.aev.radial_terms = time_func('radial_terms', torchani.aev.radial_terms)
torchani.aev.angular_terms = time_func('angular_terms', torchani.aev.angular_terms)
torchani.aev.compute_shifts = time_func('compute_shifts', torchani.aev.compute_shifts)
torchani.aev.neighbor_pairs = time_func('neighbor_pairs', torchani.aev.neighbor_pairs)
torchani.aev.neighbor_pairs_nopbc = time_func('neighbor_pairs_nopbc', torchani.aev.neighbor_pairs_nopbc)
torchani.aev.triu_index = time_func('triu_index', torchani.aev.triu_index)
torchani.aev.cumsum_from_zero = time_func('cumsum_from_zero', torchani.aev.cumsum_from_zero)
torchani.aev.triple_by_molecule = time_func('triple_by_molecule', torchani.aev.triple_by_molecule)
......
tools/training-benchmark-nsys-profile.py
View file @ 7a86940e
......@@ -39,6 +39,7 @@ def enable_timers(model):
torchani.aev.angular_terms = time_func('angular_terms', torchani.aev.angular_terms)
torchani.aev.compute_shifts = time_func('compute_shifts', torchani.aev.compute_shifts)
torchani.aev.neighbor_pairs = time_func('neighbor_pairs', torchani.aev.neighbor_pairs)
torchani.aev.neighbor_pairs_nopbc = time_func('neighbor_pairs_nopbc', torchani.aev.neighbor_pairs_nopbc)
torchani.aev.triu_index = time_func('triu_index', torchani.aev.triu_index)
torchani.aev.cumsum_from_zero = time_func('cumsum_from_zero', torchani.aev.cumsum_from_zero)
torchani.aev.triple_by_molecule = time_func('triple_by_molecule', torchani.aev.triple_by_molecule)
......
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