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Implementations of 2 new cvs: native contact fraction Q and angles between two vectors #1523

Implementations of 2 new cvs: native contact fraction Q and angles between two vectors

Implementations of 2 new cvs: native contact fraction Q and angles between two vectors #1523

Triggered via pull request September 10, 2024 17:17
Status Success
Total duration 27m 11s
Artifacts 5

docker-ci.yml

on: pull_request
forward-flux-sampling
13m 10s
forward-flux-sampling
abf-alanine-dipeptide-openmm
8m 26s
abf-alanine-dipeptide-openmm
spectral-abf-alanine-dipeptide-openmm
3m 55s
spectral-abf-alanine-dipeptide-openmm
abf-tip3p-water-ase
4m 56s
abf-tip3p-water-ase
metad-alanine-dipeptide-openmm
4m 17s
metad-alanine-dipeptide-openmm
alanine-dipeptide-openmm-mpi
8m 19s
alanine-dipeptide-openmm-mpi
cv-pucker-openmm-unbiased
5m 48s
cv-pucker-openmm-unbiased
cv-ermsd-openmm-unbiased
12m 3s
cv-ermsd-openmm-unbiased
cv-ermsd-cg-openmm-unbiased
3m 32s
cv-ermsd-cg-openmm-unbiased
cv-q-openmm-abf
4m 11s
cv-q-openmm-abf
alanine-dipeptide-string
10m 50s
alanine-dipeptide-string
openmm-nacl-metad-displacement
8m 46s
openmm-nacl-metad-displacement
metad-hoomd
6m 43s
metad-hoomd
funn-butane-hoomd
8m 36s
funn-butane-hoomd
cff-butane-hoomd
3m 41s
cff-butane-hoomd
harmonic-bias-hoomd
5m 23s
harmonic-bias-hoomd
unbiased-hoomd
3m 28s
unbiased-hoomd
umbrella-integration-hoomd
3m 59s
umbrella-integration-hoomd
improved-string-hoomd
4m 0s
improved-string-hoomd
umbrella-integration-hoomd-mpi
3m 32s
umbrella-integration-hoomd-mpi
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Annotations

22 warnings
build
The following actions use a deprecated Node.js version and will be forced to run on node20: actions/checkout@v3, docker/setup-buildx-action@v2, docker/build-push-action@v3, actions/upload-artifact@v3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
spectral-abf-alanine-dipeptide-openmm
The following actions use a deprecated Node.js version and will be forced to run on node20: docker/setup-buildx-action@v2, actions/download-artifact@v3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
cv-ermsd-cg-openmm-unbiased
The following actions use a deprecated Node.js version and will be forced to run on node20: docker/setup-buildx-action@v2, actions/download-artifact@v3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
cff-butane-hoomd
The following actions use a deprecated Node.js version and will be forced to run on node20: docker/setup-buildx-action@v2, actions/download-artifact@v3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
abf-tip3p-water-ase
The following actions use a deprecated Node.js version and will be forced to run on node20: docker/setup-buildx-action@v2, actions/download-artifact@v3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
cv-q-openmm-abf
The following actions use a deprecated Node.js version and will be forced to run on node20: docker/setup-buildx-action@v2, actions/download-artifact@v3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
cv-pucker-openmm-unbiased
The following actions use a deprecated Node.js version and will be forced to run on node20: docker/setup-buildx-action@v2, actions/download-artifact@v3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
improved-string-hoomd
The following actions use a deprecated Node.js version and will be forced to run on node20: docker/setup-buildx-action@v2, actions/download-artifact@v3, actions/upload-artifact@v3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
abf-alanine-dipeptide-openmm
The following actions use a deprecated Node.js version and will be forced to run on node20: docker/setup-buildx-action@v2, actions/download-artifact@v3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
unbiased-hoomd
The following actions use a deprecated Node.js version and will be forced to run on node20: docker/setup-buildx-action@v2, actions/download-artifact@v3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
metad-alanine-dipeptide-openmm
The following actions use a deprecated Node.js version and will be forced to run on node20: docker/setup-buildx-action@v2, actions/download-artifact@v3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
umbrella-integration-hoomd
The following actions use a deprecated Node.js version and will be forced to run on node20: docker/setup-buildx-action@v2, actions/download-artifact@v3, actions/upload-artifact@v3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
umbrella-integration-hoomd-mpi
The following actions use a deprecated Node.js version and will be forced to run on node20: docker/setup-buildx-action@v2, actions/download-artifact@v3, actions/upload-artifact@v3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
alanine-dipeptide-openmm-mpi
The following actions use a deprecated Node.js version and will be forced to run on node20: docker/setup-buildx-action@v2, actions/download-artifact@v3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
harmonic-bias-hoomd
The following actions use a deprecated Node.js version and will be forced to run on node20: docker/setup-buildx-action@v2, actions/download-artifact@v3, actions/upload-artifact@v3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
metad-hoomd
The following actions use a deprecated Node.js version and will be forced to run on node20: docker/setup-buildx-action@v2, actions/download-artifact@v3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
alanine-dipeptide-string
The following actions use a deprecated Node.js version and will be forced to run on node20: docker/setup-buildx-action@v2, actions/download-artifact@v3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
funn-butane-hoomd
The following actions use a deprecated Node.js version and will be forced to run on node20: docker/setup-buildx-action@v2, actions/download-artifact@v3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
forward-flux-sampling
The following actions use a deprecated Node.js version and will be forced to run on node20: docker/setup-buildx-action@v2, actions/download-artifact@v3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
cv-ermsd-openmm-unbiased
The following actions use a deprecated Node.js version and will be forced to run on node20: docker/setup-buildx-action@v2, actions/download-artifact@v3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
Deprecation notice: v1, v2, and v3 of the artifact actions
The following artifacts were uploaded using a version of actions/upload-artifact that is scheduled for deprecation: "harmonic-hist.pdf", "pysages", "spline-string-plots", "umbrella-integration-mpi-plots", "umbrella-integration-plots". Please update your workflow to use v4 of the artifact actions. Learn more: https://github.blog/changelog/2024-04-16-deprecation-notice-v3-of-the-artifact-actions/
openmm-nacl-metad-displacement
The following actions use a deprecated Node.js version and will be forced to run on node20: docker/setup-buildx-action@v2, actions/download-artifact@v3. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/

Artifacts

Produced during runtime
Name Size
harmonic-hist.pdf Expired
10.7 KB
pysages Expired
3.45 GB
spline-string-plots Expired
12.1 KB
umbrella-integration-mpi-plots Expired
23.7 KB
umbrella-integration-plots Expired
23.7 KB