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it was previously suspected that the issue was caused by Intel GPU opencl runtimes, however, after debugging, it appears that the issue was rooted in the cfg.bc flag handling code in mcxcl's kernel, specifically, an incomplete update after the following previous attempt of fixing bc problems: 9b4d76f
the test script showing the problem: running this on Intel CPU/GPU opencl runtimes, it returned inf/nan. (the output looks fine on nvidia gpus)
Lukai Wang reported an issue when running mcxcl/mcxlabcl on Intel CPU and GPU
https://groups.google.com/g/mcx-users/c/wqsehDZb6ws
it was previously suspected that the issue was caused by Intel GPU opencl runtimes, however, after debugging, it appears that the issue was rooted in the
cfg.bc
flag handling code in mcxcl's kernel, specifically, an incomplete update after the following previous attempt of fixing bc problems: 9b4d76fthe test script showing the problem: running this on Intel CPU/GPU opencl runtimes, it returned inf/nan. (the output looks fine on nvidia gpus)
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