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refactoring of USER-TALLY computes to handle sparse and hybrid systems

Authored by Axel Kohlmeyer <akohlmey@gmail.com> on Jun 13 2017, 04:12.

Description

refactoring of USER-TALLY computes to handle sparse and hybrid systems

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.

Details

Committed
Axel Kohlmeyer <akohlmey@gmail.com>Jun 13 2017, 04:12
Pushed
jungeOct 19 2017, 09:53
Parents
rLAMMPSe530ba46f410: cleanup and bugfix for compute heat/flux/tally
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Event Timeline

Axel Kohlmeyer <akohlmey@gmail.com> committed rLAMMPSb01143102ddc: refactoring of USER-TALLY computes to handle sparse and hybrid systems (authored by Axel Kohlmeyer <akohlmey@gmail.com>).Jun 13 2017, 04:12