Hello everyone,
I'm currently trying to write a kernel that can modify the forces of specific atoms within GPU and am running into issues where the simulation
become numerically unstable right after the kernel is called (atom crds/frcs explode). I suspect this error stems from either a formatting problem or I'm not editing the correct locations within memory.
For now, my kernel can be found here
https://gist.github.com/ParkerdeWaal/113b9c7460f21b111e4c83d5277cc856
Hopefully someone here can help me answer this (trivial?) problem.
Best,
Parker
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Received on Tue Oct 31 2017 - 09:30:04 PDT
