"src/atom_vec_line.h" did not exist on "284c1f2d04ac002333085b767ea1fc4c4eecaa01"
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Axel Kohlmeyer authored
with sparse and hybrid systems, Pair::ev_tally() may not be called on every processor and thus the computes in USER-TALLY may hang during reverse communication because of the error->all() call after checking whether callback from Pair::ev_tally() has been called at least once. To address this cleanly, a second callback function needs to be added, which is run during Pair::ev_setup() and will now handle all memory re-allocation and clearing of accumulators, just like it is done for regular tallied data.
Axel Kohlmeyer authoredwith sparse and hybrid systems, Pair::ev_tally() may not be called on every processor and thus the computes in USER-TALLY may hang during reverse communication because of the error->all() call after checking whether callback from Pair::ev_tally() has been called at least once. To address this cleanly, a second callback function needs to be added, which is run during Pair::ev_setup() and will now handle all memory re-allocation and clearing of accumulators, just like it is done for regular tallied data.