CUDA stream optimisation #63
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This reverts commit 7704828.
This reverts commit 5f3d636.
This reverts commit e61bdeb.
This reverts commit 61baf47.
This reverts commit 86961cc.
This reverts commit b39ddf0.
This reverts commit 2eb6790.
This reverts commit 084dfa9.
This reverts commit aaf8bbb.
This reverts commit fecb1de.
…de for testing" This reverts commit 21dbbf4.
This reverts commit 8bf2125.
This reverts commit 526cabf.
This reverts commit 6ed5ecc.
This reverts commit 124c329.
… dock - Adds argument paired_batch_size for specifying fast 1:1 pairing - Adds custom handlers for paired_batch_size - Defines JSON schema for specifying 1:1 combinations and config - Adds use_fast_math support in cmake build (default enabled) - Fix memory leaks in Autodock Vina scoring_function reported by Valgrind - Fix missing CUDA memory initialisation that causes crashes The original code flow is retained when paired_batch_size is not specified. Please refer the README for using the paired_batch_size argument.
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Is there any additional information required for this to be reviewed ? @ysyecust Thanks. |
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@envidian Thank you very much for your pull request. If you could add an example of using 1:1 docking in the example folder, I believe it would make it even more perfect and greatly facilitate other users. We would greatly appreciate your consideration of this suggestion. |
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The original code flow is retained when paired_batch_size is not specified.
Please refer the README for using the paired_batch_size argument.
This commit reverts previous request, and makes the code aligned with original code-flow.