Fix assertion failure #4752
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Fix assertion failure #4752
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Addresses QMCPACK#4666. mw_evaluate_notranspose and evaluate_notranspose don't produce bitwise identical results. The problem started by QMCPACK#4407 which introduce a batched evaluation and caused bitwise matrix value checking failure. I printed diff and found the value is at the epsilon of float or double. So no concern. The intention of the assertion was to catch any missing D2H transfer earlier and there is no need of recomputing. So the solution is removing the re-computation.
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Test this please |
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Thanks. An important source of worry removed. Did you find this by bisection or inspection? |
prckent
approved these changes
Sep 29, 2023
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Closes #4666 |
After I printed the delta values and found nothing to worry, I had a rough idea about the cause and tested before/after merging #4407. |
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Proposed changes
Addresses #4666.
mw_evaluate_notranspose and evaluate_notranspose don't produce bitwise identical results.
The problem started by #4407 which introduce a batched evaluation and caused bitwise matrix value checking failure. I printed diff and found the value is at the epsilon of float or double. So no concern.
The intention of the assertion was to catch any missing D2H transfer earlier and there is no need of recomputing. So the solution is removing the re-computation.
What type(s) of changes does this code introduce?
Does this introduce a breaking change?
What systems has this change been tested on?
epyc-server
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