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Distribution defaults

Open pseewald opened this issue 4 years ago • 0 comments

I open this issue to discuss how the distribution of DBCSR matrices/tensors should be handled. If possible, DBCSR should provide a default distribution that gives reasonably good load balance for unknown (arbitrary) sparsity pattern.

The current situation is as follows:

  1. By default, CP2K uses basic distribution (DBCSR external)
  2. the QS_DM_LS benchmarks use spatial distribution (DBCSR external)
  3. the tensor distribution does something similar as 1. but adding randomization (DBCSR internal)

Distribution 1 or 3 could be made a DBCSR-internal default because they do not rely on any information other than block sizes. I suggest systematic testing of all QS_DM_LS benchmarks with the 3 heuristics. Based on the result we can decide which solution to use as default. This should not change the existing API but add an optional convenience function.

pseewald avatar Apr 15 '20 15:04 pseewald