Ye Luo

> I hadn't previously noticed but the scoped ScopedTimer + NewTimer + TimerManager design just a problem with exceptions. It's quite likely for the destructor of ScopedTimer to throw an...

Could you share a reproducer? It should help understand your concern more accurately.

> Are we still missing implementation for J3 with use_nonlocalpp_deriv=yes and NLPP algorithm=batched? Yes. It is still zero contribution now. I started a month ago but never got chance to...

I added RESOURCE_GROUPS in QE https://gitlab.com/QEF/q-e/-/blob/develop/test-suite/CMakeLists.txt#L176 and multiple GPU can be configured via https://gitlab.com/QEF/q-e/-/blob/develop/test-suite/gpu-resource-example.json However I had one issue unresolved, when there is no resource file provided. It just runs...

I just did a run with 4 MPI. The ensemble job contains one Gaussian and one Spline calculation inside and now it works with #1104

Also about how `opt_num_crowds` is determined in the current implementation.

This is my real-world user experience with the batched WFOpt driver. @markdewing could you help with this?

We need to document the current behavior and then think about better deafult. `opt_num_crowds` and `opt_crowd_size` if not give, better to ask VMC what is its decision. > In my...

@PDoakORNL in this PR OptimizableObject is moved out of base classes and added as a base class only on their derived classes with actual optimizable parameters.

> Is there a plan to get rid of checkInVariables and resetParameters in favor of using only checkInVariablesExclusive and resetParametersExclusive? (In other words, is having both functions in the API...