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[WIP] Using the robust solver for pyMBAR - avoiding convergence Failu… #2057

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[WIP] Using the robust solver for pyMBAR - avoiding convergence Failu…

[WIP] Using the robust solver for pyMBAR - avoiding convergence Failu… #2057

Run time

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Job Run time
macOS-latest, py-3.10, OpenMM-8.0, pymbar-4
4m 4s
macOS-latest, py-3.10, OpenMM-8.0, pymbar-4
4m 4s
ubuntu-latest, py-3.10, OpenMM-8.0, pymbar-4
5m 13s
ubuntu-latest, py-3.10, OpenMM-8.0, pymbar-4
5m 13s
macOS-12, py-3.10, OpenMM-8.0, pymbar-4
13m 57s
macOS-12, py-3.10, OpenMM-8.0, pymbar-4
13m 57s
macOS-latest, py-3.10, OpenMM-8.1.1, pymbar-4
4m 15s
macOS-latest, py-3.10, OpenMM-8.1.1, pymbar-4
4m 15s
ubuntu-latest, py-3.10, OpenMM-8.1.1, pymbar-4
4m 53s
ubuntu-latest, py-3.10, OpenMM-8.1.1, pymbar-4
5m 12s
macOS-12, py-3.10, OpenMM-8.1.1, pymbar-4
10m 24s
macOS-12, py-3.10, OpenMM-8.1.1, pymbar-4
10m 24s
macOS-latest, py-3.10, OpenMM-8.1.2, pymbar-4
4m 10s
macOS-latest, py-3.10, OpenMM-8.1.2, pymbar-4
4m 10s
ubuntu-latest, py-3.10, OpenMM-8.1.2, pymbar-4
5m 4s
ubuntu-latest, py-3.10, OpenMM-8.1.2, pymbar-4
5m 4s
macOS-12, py-3.10, OpenMM-8.1.2, pymbar-4
9m 53s
macOS-12, py-3.10, OpenMM-8.1.2, pymbar-4
9m 53s
macOS-latest, py-3.11, OpenMM-8.0, pymbar-4
4m 34s
macOS-latest, py-3.11, OpenMM-8.0, pymbar-4
4m 34s
ubuntu-latest, py-3.11, OpenMM-8.0, pymbar-4
6m 8s
ubuntu-latest, py-3.11, OpenMM-8.0, pymbar-4
6m 8s
macOS-12, py-3.11, OpenMM-8.0, pymbar-4
11m 58s
macOS-12, py-3.11, OpenMM-8.0, pymbar-4
11m 58s
macOS-latest, py-3.11, OpenMM-8.1.1, pymbar-4
4m 7s
macOS-latest, py-3.11, OpenMM-8.1.1, pymbar-4
4m 7s
ubuntu-latest, py-3.11, OpenMM-8.1.1, pymbar-4
5m 27s
ubuntu-latest, py-3.11, OpenMM-8.1.1, pymbar-4
5m 27s
macOS-12, py-3.11, OpenMM-8.1.1, pymbar-4
8m 26s
macOS-12, py-3.11, OpenMM-8.1.1, pymbar-4
8m 26s
macOS-latest, py-3.11, OpenMM-8.1.2, pymbar-4
4m 6s
macOS-latest, py-3.11, OpenMM-8.1.2, pymbar-4
4m 6s
ubuntu-latest, py-3.11, OpenMM-8.1.2, pymbar-4
5m 24s
ubuntu-latest, py-3.11, OpenMM-8.1.2, pymbar-4
5m 24s
macOS-12, py-3.11, OpenMM-8.1.2, pymbar-4
15m 18s
macOS-12, py-3.11, OpenMM-8.1.2, pymbar-4
15m 18s
macOS-latest, py-3.12, OpenMM-8.1.1, pymbar-4
5m 59s
macOS-latest, py-3.12, OpenMM-8.1.1, pymbar-4
5m 59s
ubuntu-latest, py-3.12, OpenMM-8.1.1, pymbar-4
8m 47s
ubuntu-latest, py-3.12, OpenMM-8.1.1, pymbar-4
8m 47s
macOS-12, py-3.12, OpenMM-8.1.1, pymbar-4
10m 3s
macOS-12, py-3.12, OpenMM-8.1.1, pymbar-4
10m 3s
macOS-latest, py-3.12, OpenMM-8.1.2, pymbar-4
6m 3s
macOS-latest, py-3.12, OpenMM-8.1.2, pymbar-4
6m 3s
ubuntu-latest, py-3.12, OpenMM-8.1.2, pymbar-4
7m 57s
ubuntu-latest, py-3.12, OpenMM-8.1.2, pymbar-4
7m 57s
macOS-12, py-3.12, OpenMM-8.1.2, pymbar-4
16m 48s
macOS-12, py-3.12, OpenMM-8.1.2, pymbar-4
16m 48s
windows-latest, py-3.10, OpenMM-8.0, pymbar-4
7m 4s
windows-latest, py-3.10, OpenMM-8.0, pymbar-4
7m 4s
ubuntu-latest, py-3.10, OpenMM-8.0, pymbar-3
4m 42s
ubuntu-latest, py-3.10, OpenMM-8.0, pymbar-3
4m 42s
6h 29m 47s