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result.txt
91 lines (66 loc) · 2.54 KB
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result.txt
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Ensemble with 120 conformers
Using 2 threads
Milliseconds taken: 3197.12
[THREAD] Bond sequence calculator: 99.9919% work
[THREAD] Bond sequence calculator: 99.9921% work
[THREAD] Bond position extractor: 42.7192% work
[THREAD] Bond position extractor: 42.1682% work
Ensemble with 120 conformers
Using 4 threads
Milliseconds taken: 2375.23
Bond sequence calculator: 98.6905% work
Bond sequence calculator: 98.8989% work
Bond sequence calculator: 98.4318% work
Bond sequence calculator: 98.6169% work
Bond position extractor: 43.3713% work
Bond position extractor: 42.8735% work
Bond position extractor: 44.2333% work
Bond position extractor: 44.1449% work
Ensemble with 120 conformers
Using 1(+3) threads
Milliseconds taken: 6443.06
Bond sequence calculator: 99.9918% work
Bond position extractor: 34.4669% work
Transfers element positions to maps: 52.0805% work
Transfers element positions to maps: 35.6176% work
Transfers element positions to maps: 36.9353% work
Sum up elements into single map: 87.3824% work
Ensemble with 1 conformer
Using 1(+3) threads
Milliseconds taken: 5140.5
Bond sequence calculator: 98.7126% work
Bond position extractor: 64.0544% work
Transfers element positions to maps: 31.547% work
Transfers element positions to maps: 31.215% work
Transfers element positions to maps: 31.5287% work
Sum up elements into single map: 99.9696% work
Ensemble with 120 conformers
Using 2(+3) threads
Milliseconds taken: 5182.18
Bond sequence calculator: 99.9932% work
Bond sequence calculator: 99.9933% work
Bond position extractor: 40.3456% work
Bond position extractor: 40.1452% work
Transfers element positions to maps: 74.6132% work
Transfers element positions to maps: 65.5339% work
Transfers element positions to maps: 67.0736% work
Sum up elements into single map: 57.9126% work
Sum up elements into single map: 58.3551% work
Ensemble with 120 conformers
Using 4(+3) threads
Milliseconds taken: 5542.06
Bond sequence calculator: 99.753% work
Bond sequence calculator: 99.6453% work
Bond sequence calculator: 99.3964% work
Bond sequence calculator: 99.7761% work
Bond position extractor: 39.8031% work
Bond position extractor: 37.94% work
Bond position extractor: 38.7955% work
Bond position extractor: 39.7587% work
Transfers element positions to maps: 75.2303% work
Transfers element positions to maps: 68.5509% work
Transfers element positions to maps: 69.1% work
Sum up elements into single map: 27.4124% work
Sum up elements into single map: 28.5242% work
Sum up elements into single map: 28.037% work
Sum up elements into single map: 27.7265% work