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[WIP] Using the robust solver for pyMBAR - avoiding convergence Failu… #2052

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

[WIP] Using the robust solver for pyMBAR - avoiding convergence Failu… #2052

Triggered via pull request September 26, 2024 16:26
@mikemhenrymikemhenry
synchronize #735
RiesBen:MultistateAnalyzer---default-to-robust-pyMBAR-solver
Status Failure
Total duration 34m 37s
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CI.yml

on: pull_request
Matrix: test
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26 errors and 26 warnings
macOS-latest, py-3.10, OpenMM-8.0, pymbar-4
Process completed with exit code 1.
macOS-latest, py-3.10, OpenMM-8.1.2, pymbar-4
Process completed with exit code 1.
macOS-latest, py-3.10, OpenMM-8.1.1, pymbar-4
Process completed with exit code 1.
ubuntu-latest, py-3.10, OpenMM-8.0, pymbar-3
Process completed with exit code 1.
ubuntu-latest, py-3.11, OpenMM-8.1.2, pymbar-4
Process completed with exit code 1.
ubuntu-latest, py-3.10, OpenMM-8.1.2, pymbar-4
Process completed with exit code 1.
ubuntu-latest, py-3.10, OpenMM-8.0, pymbar-4
Process completed with exit code 1.
ubuntu-latest, py-3.10, OpenMM-8.1.1, pymbar-4
Process completed with exit code 1.
ubuntu-latest, py-3.11, OpenMM-8.1.1, pymbar-4
Process completed with exit code 1.
ubuntu-latest, py-3.11, OpenMM-8.0, pymbar-4
Process completed with exit code 1.
windows-latest, py-3.10, OpenMM-8.0, pymbar-4
Process completed with exit code 1.
ubuntu-latest, py-3.12, OpenMM-8.1.2, pymbar-4
Process completed with exit code 1.
ubuntu-latest, py-3.12, OpenMM-8.1.1, pymbar-4
Process completed with exit code 1.
macOS-latest, py-3.11, OpenMM-8.0, pymbar-4
Process completed with exit code 1.
macOS-12, py-3.10, OpenMM-8.1.2, pymbar-4
Process completed with exit code 1.
macOS-12, py-3.11, OpenMM-8.0, pymbar-4
Process completed with exit code 1.
macOS-12, py-3.10, OpenMM-8.1.1, pymbar-4
Process completed with exit code 1.
macOS-12, py-3.10, OpenMM-8.0, pymbar-4
Process completed with exit code 1.
macOS-latest, py-3.11, OpenMM-8.1.2, pymbar-4
Process completed with exit code 1.
macOS-latest, py-3.11, OpenMM-8.1.1, pymbar-4
Process completed with exit code 1.
macOS-12, py-3.11, OpenMM-8.1.1, pymbar-4
Process completed with exit code 1.
macOS-12, py-3.11, OpenMM-8.1.2, pymbar-4
Process completed with exit code 1.
macOS-latest, py-3.12, OpenMM-8.1.2, pymbar-4
Process completed with exit code 1.
macOS-latest, py-3.12, OpenMM-8.1.1, pymbar-4
Process completed with exit code 1.
macOS-12, py-3.12, OpenMM-8.1.1, pymbar-4
Process completed with exit code 1.
macOS-12, py-3.12, OpenMM-8.1.2, pymbar-4
Process completed with exit code 1.
macOS-latest, py-3.10, OpenMM-8.0, pymbar-4
The following actions use a deprecated Node.js version and will be forced to run on node20: actions/checkout@v3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
macOS-latest, py-3.10, OpenMM-8.1.2, pymbar-4
The following actions use a deprecated Node.js version and will be forced to run on node20: actions/checkout@v3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
macOS-latest, py-3.10, OpenMM-8.1.1, pymbar-4
The following actions use a deprecated Node.js version and will be forced to run on node20: actions/checkout@v3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
ubuntu-latest, py-3.10, OpenMM-8.0, pymbar-3
The following actions use a deprecated Node.js version and will be forced to run on node20: actions/checkout@v3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
ubuntu-latest, py-3.11, OpenMM-8.1.2, pymbar-4
The following actions use a deprecated Node.js version and will be forced to run on node20: actions/checkout@v3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
ubuntu-latest, py-3.10, OpenMM-8.1.2, pymbar-4
The following actions use a deprecated Node.js version and will be forced to run on node20: actions/checkout@v3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
ubuntu-latest, py-3.10, OpenMM-8.0, pymbar-4
The following actions use a deprecated Node.js version and will be forced to run on node20: actions/checkout@v3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
ubuntu-latest, py-3.10, OpenMM-8.1.1, pymbar-4
The following actions use a deprecated Node.js version and will be forced to run on node20: actions/checkout@v3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
ubuntu-latest, py-3.11, OpenMM-8.1.1, pymbar-4
The following actions use a deprecated Node.js version and will be forced to run on node20: actions/checkout@v3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
ubuntu-latest, py-3.11, OpenMM-8.0, pymbar-4
The following actions use a deprecated Node.js version and will be forced to run on node20: actions/checkout@v3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
windows-latest, py-3.10, OpenMM-8.0, pymbar-4
The following actions use a deprecated Node.js version and will be forced to run on node20: actions/checkout@v3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
ubuntu-latest, py-3.12, OpenMM-8.1.2, pymbar-4
The following actions use a deprecated Node.js version and will be forced to run on node20: actions/checkout@v3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
ubuntu-latest, py-3.12, OpenMM-8.1.1, pymbar-4
The following actions use a deprecated Node.js version and will be forced to run on node20: actions/checkout@v3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
macOS-latest, py-3.11, OpenMM-8.0, pymbar-4
The following actions use a deprecated Node.js version and will be forced to run on node20: actions/checkout@v3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
macOS-12, py-3.10, OpenMM-8.1.2, pymbar-4
The following actions use a deprecated Node.js version and will be forced to run on node20: actions/checkout@v3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
macOS-12, py-3.11, OpenMM-8.0, pymbar-4
The following actions use a deprecated Node.js version and will be forced to run on node20: actions/checkout@v3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
macOS-12, py-3.10, OpenMM-8.1.1, pymbar-4
The following actions use a deprecated Node.js version and will be forced to run on node20: actions/checkout@v3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
macOS-12, py-3.10, OpenMM-8.0, pymbar-4
The following actions use a deprecated Node.js version and will be forced to run on node20: actions/checkout@v3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
macOS-latest, py-3.11, OpenMM-8.1.2, pymbar-4
The following actions use a deprecated Node.js version and will be forced to run on node20: actions/checkout@v3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
macOS-latest, py-3.11, OpenMM-8.1.1, pymbar-4
The following actions use a deprecated Node.js version and will be forced to run on node20: actions/checkout@v3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
macOS-12, py-3.11, OpenMM-8.1.1, pymbar-4
The following actions use a deprecated Node.js version and will be forced to run on node20: actions/checkout@v3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
macOS-12, py-3.11, OpenMM-8.1.2, pymbar-4
The following actions use a deprecated Node.js version and will be forced to run on node20: actions/checkout@v3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
macOS-latest, py-3.12, OpenMM-8.1.2, pymbar-4
The following actions use a deprecated Node.js version and will be forced to run on node20: actions/checkout@v3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
macOS-latest, py-3.12, OpenMM-8.1.1, pymbar-4
The following actions use a deprecated Node.js version and will be forced to run on node20: actions/checkout@v3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
macOS-12, py-3.12, OpenMM-8.1.1, pymbar-4
The following actions use a deprecated Node.js version and will be forced to run on node20: actions/checkout@v3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
macOS-12, py-3.12, OpenMM-8.1.2, pymbar-4
The following actions use a deprecated Node.js version and will be forced to run on node20: actions/checkout@v3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/