Ye Luo

`exp(sum_i delta_i)` yes. I was not comfortable with back and forth `log` and `exp`. Why did you say `It seems like this was a premature optimization that wasn't actually necessary...

#4646 made the batched drivers behaving the same as legacy drivers when checkpoint is given as an attribute. I don't see a strong need to make breaking changes to the...

The issue has nothing to do with drivers. Error printing happens during parsing Coulomb input. With rank 0 printing, other rank may run to error first and terminate all the...

A proper fix will probably be to port/copy the more robust `qmcplusplus::isnan` into ppconvert.

> what is it using now? `std::isnan`? or silly things like `a != a`? `std::isnan` won't work. Use the latter https://github.com/QMCPACK/qmcpack/blob/b6d307410fd2c39da5d15c68969ee90c2c002d62/src/Platforms/CPU/math.cpp#L18 with special treatment at compilation https://github.com/QMCPACK/qmcpack/blob/b6d307410fd2c39da5d15c68969ee90c2c002d62/src/Platforms/CPU/CMakeLists.txt#L14

Could you rerun with exactly the same condition and see if the issue is reproducible?

Could you rerun with `export HSA_ENABLE_SDMA=0` in your job script for a known AMD software bug?

It seems that you are using hybridrep + GPU, this is still under development. Could you run with gpu=no to sposet_builder line?

@kayahans 1. are runs on Cades all good? If not, we probably need to first look into other reason for its failure before touching GPUs. 2. Regarding hybrd on GPU,...

> Thanks @ye-luo, yes I had no such issues when running this particular or other bilayered materials at Cades which is a CPU only machine. I think your suggestion is...