TBtrans, slow on >100000 orbital electrode systems
Bug #1649774 reported by
Nick Papior
This bug affects 1 person
| Affects | Status | Importance | Assigned to | Milestone | |
|---|---|---|---|---|---|
| Siesta |
Fix Released
|
Medium
|
Nick Papior | ||
| 4.1 |
Fix Released
|
Medium
|
Nick Papior | ||
Bug Description
For large scale calculations with a very large electrode extension region the pivoting scheme is very poor.
1. This is because the pivoting scheme is called twice if TBT.BTD.
2. The algorithms for creating the connectivity graph twice in case one asks for a pivoting scheme
with the connectivity graph. However, running the pivoting scheme is only required twice if one of the
other pivoting schemes are used.
3. The region algorithms are not optimized for large arrays.
| Changed in siesta: | |
| status: | In Progress → Fix Committed |
| tags: | added: tbtrans |
| Changed in siesta: | |
| status: | Fix Committed → Fix Released |
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