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In our tests the issue seems to be with the linked list : changing rcut in the code resolves the issue. At the "wrong" rcuts we have x(l,i), y(l,i) = NaN. We don't yet understand why that is the case. The right rcuts give physically valid checkpoints as we checked.
We hope cleaning up the code with the modified solely beadbased 1D linked list shall fix this.
Also, as per the intel doc above, Large Array Temporaries Caused by Passing Noncontiguous Array Sections, may cause segfault. In our current code every array reference is non-contiguous as the beads are stored in rows. Changing that might fix things too. 🤞
Sometimes. Not always.
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