vangthao95

NaNs and Infinity in computeNonbonded

4

I built OpenMM from source with opencl support and when running the test TestOpenCLLocalEnergyMinimizer, I have found that in computeNonbonded(), some values are turning into NaNs or +/- infinity. In...

Fix incompatiable pointer type warning for device_execution test

1

There are multiple incompatiable pointer types warnings when compiling the device_execution test with clang. There was an upstream llvm patch that will turn these warnings into an error https://github.com/llvm/llvm-project/pull/157364. To...