Einspline orbital optimization not friendly with following runtime parameters
Open
bug
optimization
stale
- Dominant language
- C++
- Stars
- 403
- Forks
- 154
- Avg merge
- 1d 12h
- Merged PRs (30d)
- 82
Description
**True with einspline orbitals:**
OMP_NUM_THREADS != 1 (crash)
mpi ranks != 1 (crash)
**True with both LCAO and einspline orbitals:**
walkers != 1 (wrong energy, local potential, etc. Does run though)
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