Paul R. C. Kent
Paul R. C. Kent
Hmm. If there is not a better solution, we could simply abort for GPU builds when the environment variable is not set and give the user the instructions to set...
Due to the MPI dependencies it is worth checking both an ensemble spline basis run and an ensemble Gaussian basis run.
Please add to the test system. If the test is crash or not, this is fast.
Partially addressed by #4091
Still needed: 1. Statistical checks of results 1. ~LCAO case~ #4093
Q1. If you rerun with AFQMC disabled, what is the new warning count? It would be helpful to know the split between auxiliary and real space warnings. Q2. Can you...
As discussed above, the real question here is which warnings indicate (i) dangerous code and potentially hidden bugs (ii) bad practices that we should avoid (subjective) (iii) ignorable or irrelevant...
> bugprone-narrowing-conversions > It is also triggered by double to float conversions. I have a suspicion is that we have a few of these lurking that actually are bugs. This...
For a few % of the time this will give a significant speedup (say, near convergence), but for most % of the time this will either slow convergence or perhaps...
Peter - do you run doxygen locally? Are there warnings from the bad markup? How big is the problem? To move doxygen to a first class citizen in our docs...