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jkrajniak avatar jkrajniak commented on May 31, 2024

Do you get some error message ?

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GDeichmann avatar GDeichmann commented on May 31, 2024

No the program just runs into a deadlock. Presumably, at the all_reduce statement mentioned above.

I already tried the new version proposed in pull request #186. With that everything runs smoothely and the forces on all particles are calculated correctly.

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hidekb avatar hidekb commented on May 31, 2024

Although you already know the pull request #186, I explain the origin of this problem.
When any CPU have empty FixedLocalTupleList, N_constrain have never been determined uniquely or can't be determined. Hence, the calculation is terminated abnormally or is into deadlock.
The pull request #186 fixed this problem.

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