Looks like buildAtomListGpu() may be broken when running in L-J mode. Going into buildAtomListGpu(), a_list.n starts out with the correct value, but when it returns (after copying out the resulting count back from the GPU), it's getting zero back, and after that it's game over.
Looks like
buildAtomListGpu()
may be broken when running in L-J mode. Going intobuildAtomListGpu()
,a_list.n
starts out with the correct value, but when it returns (after copying out the resulting count back from the GPU), it's getting zero back, and after that it's game over.