GPU and OPENMP cannot work together for DMC

[yaoyi92]

the code crash when using OPENMP with GPU for DMC. This doesn't happen for VMC.

details here.
https://groups.google.com/forum/#!topic/qmcpack/9rELWZgNUOo

[prckent]

Thanks for reporting this. Please can you attach the pseudopotential files so that we can attempt an exact reproduction?

[yaoyi92]

Sorry for the confusion. I have them pasted in the google group.
They were pseudopotential files I took from maybe an older version of qmcpack.
https://groups.google.com/forum/#!topic/qmcpack/9rELWZgNUOo

[yaoyi92]

I take it back.
I think I got them from CASINO website and converted them.

[yaoyi92]

This is also Volta-V100 related (works fine with GTX1080), the same as this issue.
#1054

[prckent]

Thanks for the updates. While our existing tests are passing, it does indeed seem that something is up with some combinations/parts of QMCPACK, certain GPUs, certain inputs.

[ye-luo]

We ran legacy CUDA with OpenMP threads by default. It seems OK right now. Open a new issue if needed.