Ye Luo
Ping @PDoakORNL @markdewing since you gave review comments as well.
Test this please
I'd like to disallow estimator without a containing "estimators" node in batched driver input, namely ```
I think all the desired change from this PR has been handled by #4190 and #4198
I think computeGetrf_batched and computeGetri_batched are probably generic and can be moved to `Platforms/tests/CUDA`. computeLogDet is a wavefunction specific logic and should remain in `QMCWaveFunctions/detail/CUDA`
Since we can't request real/complex via input now, I prefer to avoid blockers to users. If there is no input, keep running. If there is an input, check against the...
> "This code does store a copy of the coefficient matrix to compute rotated parameters, so it will only work with LCAO." This is a bit worrisome as the code...
See https://github.com/QMCPACK/qmcpack/issues/3082#issuecomment-826352080. As long as the warmupsteps given in user input is large enough, population blow-up like #3082 will not happen. I think it is not a bug but calls...
Further data on #3082 suggest the key issue in the population control. Sub-optimal warmup further amplifies the instability from weak population control.
Better to post new plots here. #3082 is exposed to multiple issues. Some of the spikes are eliminated by #3135. So it is better to spin off the population control...