StartDate: 2024-05-01 06:04:29+00:00 CpuId: 32x AMD EPYC (3rd Gen) (Milan) [Zen 3], 7nm (SMT disabled) CommitSHA: 3add4946b9bb18f107c1b62045068fef1eb9b325 CommitTime: 2024-04-30 21:51:36 +0200 CommitAuthor: Mathieu Taillefumier CommitSubject: [PWDFT] SIRIUS returns -T S for the entropic term #################### Building Image cp2k-ase #################### Dockerfile: /tools/docker/Dockerfile.test_ase Build-Path: / Build-Args: GIT_COMMIT_SHA=3add4946b9bb18f107c1b62045068fef1eb9b325 Build-Cache: Yes Populating docker build cache... done. DEPRECATED: The legacy builder is deprecated and will be removed in a future release. BuildKit is currently disabled; enable it by removing the DOCKER_BUILDKIT=0 environment-variable. Sending build context to Docker daemon 394.2MB Step 1/41 : FROM ubuntu:22.04 22.04: Pulling from library/ubuntu e311a697a403: Pulling fs layer e311a697a403: Verifying Checksum e311a697a403: Download complete e311a697a403: Pull complete Digest: sha256:6d7b5d3317a71adb5e175640150e44b8b9a9401a7dd394f44840626aff9fa94d Status: Downloaded newer image for ubuntu:22.04 ---> 437ec753bef3 Step 2/41 : WORKDIR /opt/cp2k-toolchain ---> Using cache ---> 7a6476255769 Step 3/41 : COPY ./tools/toolchain/install_requirements*.sh ./ ---> Using cache ---> 9759504efaad Step 4/41 : RUN ./install_requirements.sh ubuntu:22.04 ---> Using cache ---> abda0bfe25be Step 5/41 : RUN mkdir scripts ---> Using cache ---> 6eb283287b7d Step 6/41 : COPY ./tools/toolchain/scripts/VERSION ./tools/toolchain/scripts/parse_if.py ./tools/toolchain/scripts/tool_kit.sh ./tools/toolchain/scripts/common_vars.sh ./tools/toolchain/scripts/signal_trap.sh ./tools/toolchain/scripts/get_openblas_arch.sh ./scripts/ ---> Using cache ---> ee4cd275054d Step 7/41 : COPY ./tools/toolchain/install_cp2k_toolchain.sh . ---> Using cache ---> fd984e9d4562 Step 8/41 : RUN ./install_cp2k_toolchain.sh --install-all --with-gcc=system --dry-run ---> Using cache ---> 5902e1a16638 Step 9/41 : COPY ./tools/toolchain/scripts/stage0/ ./scripts/stage0/ ---> Using cache ---> 69e44f9a893a Step 10/41 : RUN ./scripts/stage0/install_stage0.sh && rm -rf ./build ---> Using cache ---> 428b0608a456 Step 11/41 : COPY ./tools/toolchain/scripts/stage1/ ./scripts/stage1/ ---> Using cache ---> 3a7df50fbb07 Step 12/41 : RUN ./scripts/stage1/install_stage1.sh && rm -rf ./build ---> Using cache ---> f05686e6a599 Step 13/41 : COPY ./tools/toolchain/scripts/stage2/ ./scripts/stage2/ ---> Using cache ---> a15c0849487c Step 14/41 : RUN ./scripts/stage2/install_stage2.sh && rm -rf ./build ---> Using cache ---> e87fda45d6e9 Step 15/41 : COPY ./tools/toolchain/scripts/stage3/ ./scripts/stage3/ ---> Using cache ---> 2f3db5faf758 Step 16/41 : RUN ./scripts/stage3/install_stage3.sh && rm -rf ./build ---> Using cache ---> 3c53ae4e8ae7 Step 17/41 : COPY ./tools/toolchain/scripts/stage4/ ./scripts/stage4/ ---> Using cache ---> 372303e3c837 Step 18/41 : RUN ./scripts/stage4/install_stage4.sh && rm -rf ./build ---> Using cache ---> 718edd7c4dae Step 19/41 : COPY ./tools/toolchain/scripts/stage5/ ./scripts/stage5/ ---> Using cache ---> 456e0995f7d4 Step 20/41 : RUN ./scripts/stage5/install_stage5.sh && rm -rf ./build ---> Using cache ---> 6edd3007c804 Step 21/41 : COPY ./tools/toolchain/scripts/stage6/ ./scripts/stage6/ ---> Using cache ---> 113504d442bb Step 22/41 : RUN ./scripts/stage6/install_stage6.sh && rm -rf ./build ---> Using cache ---> 483a37b93ac9 Step 23/41 : COPY ./tools/toolchain/scripts/stage7/ ./scripts/stage7/ ---> Using cache ---> 4be2a0046810 Step 24/41 : RUN ./scripts/stage7/install_stage7.sh && rm -rf ./build ---> Using cache ---> 64bd28db8437 Step 25/41 : COPY ./tools/toolchain/scripts/stage8/ ./scripts/stage8/ ---> Using cache ---> 8c4b07ff2360 Step 26/41 : RUN ./scripts/stage8/install_stage8.sh && rm -rf ./build ---> Using cache ---> 86f8df362969 Step 27/41 : COPY ./tools/toolchain/scripts/arch_base.tmpl ./tools/toolchain/scripts/generate_arch_files.sh ./scripts/ ---> Using cache ---> efa46bdef28d Step 28/41 : RUN ./scripts/generate_arch_files.sh && rm -rf ./build ---> Using cache ---> c85db00b7948 Step 29/41 : WORKDIR /opt/cp2k ---> Using cache ---> 6c23c537ae10 Step 30/41 : COPY ./Makefile . ---> Using cache ---> 9a825c220b9a Step 31/41 : COPY ./src ./src ---> Using cache ---> 05240fcaedeb Step 32/41 : COPY ./exts ./exts ---> Using cache ---> 3242dd1c9a07 Step 33/41 : COPY ./tools/build_utils ./tools/build_utils ---> Using cache ---> a1b699dcdfb4 Step 34/41 : RUN /bin/bash -c " mkdir -p arch && ln -vs /opt/cp2k-toolchain/install/arch/local.sdbg ./arch/" ---> Using cache ---> 9ae1672cec1d Step 35/41 : COPY ./data ./data ---> Using cache ---> 406098fa8fcc Step 36/41 : COPY ./tests ./tests ---> Using cache ---> 503fc8de1169 Step 37/41 : COPY ./tools/regtesting ./tools/regtesting ---> Using cache ---> fb7e72ddb49b Step 38/41 : COPY ./tools/docker/scripts/test_ase.sh . ---> b4f54ba182ae Step 39/41 : RUN ./test_ase.sh 2>&1 | tee report.log ---> Running in 16579affd769 Compiling cp2k... done. ========== Installing Dependencies ========== debconf: delaying package configuration, since apt-utils is not installed Selecting previously unselected package python3-pkg-resources. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 13440 files and directories currently installed.) Preparing to unpack .../00-python3-pkg-resources_59.6.0-1.2ubuntu0.22.04.1_all.deb ... Unpacking python3-pkg-resources (59.6.0-1.2ubuntu0.22.04.1) ... Selecting previously unselected package xz-utils. Preparing to unpack .../01-xz-utils_5.2.5-2ubuntu1_amd64.deb ... Unpacking xz-utils (5.2.5-2ubuntu1) ... Selecting previously unselected package lto-disabled-list. 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Unpacking python3-pip (22.0.2+dfsg-1ubuntu0.4) ... Selecting previously unselected package python3-pip-whl. Preparing to unpack .../19-python3-pip-whl_22.0.2+dfsg-1ubuntu0.4_all.deb ... Unpacking python3-pip-whl (22.0.2+dfsg-1ubuntu0.4) ... Selecting previously unselected package python3-setuptools-whl. Preparing to unpack .../20-python3-setuptools-whl_59.6.0-1.2ubuntu0.22.04.1_all.deb ... Unpacking python3-setuptools-whl (59.6.0-1.2ubuntu0.22.04.1) ... Selecting previously unselected package python3.10-venv. Preparing to unpack .../21-python3.10-venv_3.10.12-1~22.04.3_amd64.deb ... Unpacking python3.10-venv (3.10.12-1~22.04.3) ... Selecting previously unselected package python3-venv. Preparing to unpack .../22-python3-venv_3.10.6-1~22.04_amd64.deb ... Unpacking python3-venv (3.10.6-1~22.04) ... Setting up python3-pkg-resources (59.6.0-1.2ubuntu0.22.04.1) ... Setting up libpython3.10:amd64 (3.10.12-1~22.04.3) ... Setting up python3-setuptools-whl (59.6.0-1.2ubuntu0.22.04.1) ... Setting up lto-disabled-list (24) ... Setting up python3-pip-whl (22.0.2+dfsg-1ubuntu0.4) ... Setting up libexpat1-dev:amd64 (2.4.7-1ubuntu0.3) ... Setting up xz-utils (5.2.5-2ubuntu1) ... update-alternatives: using /usr/bin/xz to provide /usr/bin/lzma (lzma) in auto mode update-alternatives: warning: skip creation of /usr/share/man/man1/lzma.1.gz because associated file /usr/share/man/man1/xz.1.gz (of link group lzma) doesn't exist update-alternatives: warning: skip creation of /usr/share/man/man1/unlzma.1.gz because associated file /usr/share/man/man1/unxz.1.gz (of link group lzma) doesn't exist update-alternatives: warning: skip creation of /usr/share/man/man1/lzcat.1.gz because associated file /usr/share/man/man1/xzcat.1.gz (of link group lzma) doesn't exist update-alternatives: warning: skip creation of /usr/share/man/man1/lzmore.1.gz because associated file /usr/share/man/man1/xzmore.1.gz (of link group lzma) doesn't exist update-alternatives: warning: skip creation of /usr/share/man/man1/lzless.1.gz because associated file /usr/share/man/man1/xzless.1.gz (of link group lzma) doesn't exist update-alternatives: warning: skip creation of /usr/share/man/man1/lzdiff.1.gz because associated file /usr/share/man/man1/xzdiff.1.gz (of link group lzma) doesn't exist update-alternatives: warning: skip creation of /usr/share/man/man1/lzcmp.1.gz because associated file /usr/share/man/man1/xzcmp.1.gz (of link group lzma) doesn't exist update-alternatives: warning: skip creation of /usr/share/man/man1/lzgrep.1.gz because associated file /usr/share/man/man1/xzgrep.1.gz (of link group lzma) doesn't exist update-alternatives: warning: skip creation of /usr/share/man/man1/lzegrep.1.gz because associated file /usr/share/man/man1/xzegrep.1.gz (of link group lzma) doesn't exist update-alternatives: warning: skip creation of /usr/share/man/man1/lzfgrep.1.gz because associated file /usr/share/man/man1/xzfgrep.1.gz (of link group lzma) doesn't exist Setting up libpython3.10-dev:amd64 (3.10.12-1~22.04.3) ... Setting up python3.10-dev (3.10.12-1~22.04.3) ... Setting up libjs-jquery (3.6.0+dfsg+~3.5.13-1) ... Setting up python3-lib2to3 (3.10.8-1~22.04) ... Setting up libjs-underscore (1.13.2~dfsg-2) ... Setting up python3-distutils (3.10.8-1~22.04) ... Setting up libpython3-dev:amd64 (3.10.6-1~22.04) ... Setting up python3.10-venv (3.10.12-1~22.04.3) ... Setting up python3-setuptools (59.6.0-1.2ubuntu0.22.04.1) ... Setting up python3-wheel (0.37.1-2ubuntu0.22.04.1) ... Setting up dpkg-dev (1.21.1ubuntu2.3) ... Setting up python3-venv (3.10.6-1~22.04) ... Setting up python3-pip (22.0.2+dfsg-1ubuntu0.4) ... Setting up libjs-sphinxdoc (4.3.2-1) ... Setting up build-essential (12.9ubuntu3) ... Setting up python3-dev (3.10.6-1~22.04) ... Processing triggers for libc-bin (2.35-0ubuntu3.6) ... ========== Installing ASE ========== Processing /opt/ase Installing build dependencies: started Installing build dependencies: finished with status 'done' Getting requirements to build wheel: started Getting requirements to build wheel: finished with status 'done' Installing backend dependencies: started Installing backend dependencies: finished with status 'done' Preparing metadata (pyproject.toml): started Preparing metadata (pyproject.toml): finished with status 'done' Collecting scipy>=1.6.0 Downloading scipy-1.13.0-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (38.6 MB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 38.6/38.6 MB 28.8 MB/s eta 0:00:00 Collecting numpy>=1.18.5 Downloading numpy-1.26.4-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (18.2 MB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 18.2/18.2 MB 41.2 MB/s eta 0:00:00 Collecting matplotlib>=3.3.4 Downloading matplotlib-3.8.4-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (11.6 MB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 11.6/11.6 MB 47.6 MB/s eta 0:00:00 Collecting pytest-xdist>=2.1.0 Downloading pytest_xdist-3.6.1-py3-none-any.whl (46 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 46.1/46.1 KB 9.9 MB/s eta 0:00:00 Collecting pytest>=6.2.5 Downloading pytest-8.2.0-py3-none-any.whl (339 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 339.2/339.2 KB 38.6 MB/s eta 0:00:00 Collecting contourpy>=1.0.1 Downloading contourpy-1.2.1-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (305 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 305.2/305.2 KB 45.2 MB/s eta 0:00:00 Collecting cycler>=0.10 Downloading cycler-0.12.1-py3-none-any.whl (8.3 kB) Collecting python-dateutil>=2.7 Downloading python_dateutil-2.9.0.post0-py2.py3-none-any.whl (229 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 229.9/229.9 KB 41.3 MB/s eta 0:00:00 Collecting packaging>=20.0 Downloading packaging-24.0-py3-none-any.whl (53 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 53.5/53.5 KB 11.0 MB/s eta 0:00:00 Collecting pillow>=8 Downloading pillow-10.3.0-cp310-cp310-manylinux_2_28_x86_64.whl (4.5 MB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 4.5/4.5 MB 47.8 MB/s eta 0:00:00 Collecting pyparsing>=2.3.1 Downloading pyparsing-3.1.2-py3-none-any.whl (103 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 103.2/103.2 KB 22.9 MB/s eta 0:00:00 Collecting fonttools>=4.22.0 Downloading fonttools-4.51.0-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (4.6 MB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 4.6/4.6 MB 50.1 MB/s eta 0:00:00 Collecting kiwisolver>=1.3.1 Downloading kiwisolver-1.4.5-cp310-cp310-manylinux_2_12_x86_64.manylinux2010_x86_64.whl (1.6 MB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 1.6/1.6 MB 57.5 MB/s eta 0:00:00 Collecting exceptiongroup>=1.0.0rc8 Downloading exceptiongroup-1.2.1-py3-none-any.whl (16 kB) Collecting tomli>=1 Downloading tomli-2.0.1-py3-none-any.whl (12 kB) Collecting pluggy<2.0,>=1.5 Downloading pluggy-1.5.0-py3-none-any.whl (20 kB) Collecting iniconfig Downloading iniconfig-2.0.0-py3-none-any.whl (5.9 kB) Collecting execnet>=2.1 Downloading execnet-2.1.1-py3-none-any.whl (40 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 40.6/40.6 KB 8.0 MB/s eta 0:00:00 Collecting six>=1.5 Downloading six-1.16.0-py2.py3-none-any.whl (11 kB) Building wheels for collected packages: ase Building wheel for ase (pyproject.toml): started Building wheel for ase (pyproject.toml): finished with status 'done' Created wheel for ase: filename=ase-3.23.0b1-py3-none-any.whl size=2731107 sha256=12c3a8eddf832f2950821a59f9c0d9992b5314f9e8862992a5f63f1b9ee190f6 Stored in directory: /tmp/pip-ephem-wheel-cache-8qtt6rfc/wheels/9b/f9/2c/53afdde83eba7bcd388ddd30f29017c7ae1b23583ce5b31064 Successfully built ase Installing collected packages: tomli, six, pyparsing, pluggy, pillow, packaging, numpy, kiwisolver, iniconfig, fonttools, execnet, exceptiongroup, cycler, scipy, python-dateutil, pytest, contourpy, pytest-xdist, matplotlib, ase Successfully installed ase-3.23.0b1 contourpy-1.2.1 cycler-0.12.1 exceptiongroup-1.2.1 execnet-2.1.1 fonttools-4.51.0 iniconfig-2.0.0 kiwisolver-1.4.5 matplotlib-3.8.4 numpy-1.26.4 packaging-24.0 pillow-10.3.0 pluggy-1.5.0 pyparsing-3.1.2 pytest-8.2.0 pytest-xdist-3.6.1 python-dateutil-2.9.0.post0 scipy-1.13.0 six-1.16.0 tomli-2.0.1 ========== Running ASE Tests ========== - About to run pytest with these parameters: calculator/cp2k --calculators=cp2k Traceback (most recent call last): File "/usr/lib/python3.10/runpy.py", line 196, in _run_module_as_main return _run_code(code, main_globals, None, File "/usr/lib/python3.10/runpy.py", line 86, in _run_code exec(code, run_globals) File "/opt/venv/lib/python3.10/site-packages/pytest/__main__.py", line 7, in raise SystemExit(pytest.console_main()) File "/opt/venv/lib/python3.10/site-packages/_pytest/config/__init__.py", line 206, in console_main code = main() File "/opt/venv/lib/python3.10/site-packages/_pytest/config/__init__.py", line 159, in main config = _prepareconfig(args, plugins) File "/opt/venv/lib/python3.10/site-packages/_pytest/config/__init__.py", line 346, in _prepareconfig config = pluginmanager.hook.pytest_cmdline_parse( File "/opt/venv/lib/python3.10/site-packages/pluggy/_hooks.py", line 513, in __call__ return self._hookexec(self.name, self._hookimpls.copy(), kwargs, firstresult) File "/opt/venv/lib/python3.10/site-packages/pluggy/_manager.py", line 120, in _hookexec return self._inner_hookexec(hook_name, methods, kwargs, firstresult) File "/opt/venv/lib/python3.10/site-packages/pluggy/_callers.py", line 139, in _multicall raise exception.with_traceback(exception.__traceback__) File "/opt/venv/lib/python3.10/site-packages/pluggy/_callers.py", line 122, in _multicall teardown.throw(exception) # type: ignore[union-attr] File "/opt/venv/lib/python3.10/site-packages/_pytest/helpconfig.py", line 106, in pytest_cmdline_parse config = yield File "/opt/venv/lib/python3.10/site-packages/pluggy/_callers.py", line 103, in _multicall res = hook_impl.function(*args) File "/opt/venv/lib/python3.10/site-packages/_pytest/config/__init__.py", line 1152, in pytest_cmdline_parse self.parse(args) File "/opt/venv/lib/python3.10/site-packages/_pytest/config/__init__.py", line 1501, in parse self._preparse(args, addopts=addopts) File "/opt/venv/lib/python3.10/site-packages/_pytest/config/__init__.py", line 1405, in _preparse self.hook.pytest_load_initial_conftests( File "/opt/venv/lib/python3.10/site-packages/pluggy/_hooks.py", line 513, in __call__ return self._hookexec(self.name, self._hookimpls.copy(), kwargs, firstresult) File "/opt/venv/lib/python3.10/site-packages/pluggy/_manager.py", line 120, in _hookexec return self._inner_hookexec(hook_name, methods, kwargs, firstresult) File "/opt/venv/lib/python3.10/site-packages/pluggy/_callers.py", line 139, in _multicall raise exception.with_traceback(exception.__traceback__) File "/opt/venv/lib/python3.10/site-packages/pluggy/_callers.py", line 122, in _multicall teardown.throw(exception) # type: ignore[union-attr] File "/opt/venv/lib/python3.10/site-packages/_pytest/warnings.py", line 150, in pytest_load_initial_conftests return (yield) File "/opt/venv/lib/python3.10/site-packages/pluggy/_callers.py", line 122, in _multicall teardown.throw(exception) # type: ignore[union-attr] File "/opt/venv/lib/python3.10/site-packages/_pytest/capture.py", line 153, in pytest_load_initial_conftests yield File "/opt/venv/lib/python3.10/site-packages/pluggy/_callers.py", line 103, in _multicall res = hook_impl.function(*args) File "/opt/venv/lib/python3.10/site-packages/_pytest/config/__init__.py", line 1230, in pytest_load_initial_conftests self.pluginmanager._set_initial_conftests( File "/opt/venv/lib/python3.10/site-packages/_pytest/config/__init__.py", line 588, in _set_initial_conftests self._try_load_conftest( File "/opt/venv/lib/python3.10/site-packages/_pytest/config/__init__.py", line 626, in _try_load_conftest self._loadconftestmodules( File "/opt/venv/lib/python3.10/site-packages/_pytest/config/__init__.py", line 666, in _loadconftestmodules mod = self._importconftest( File "/opt/venv/lib/python3.10/site-packages/_pytest/config/__init__.py", line 742, in _importconftest self.consider_conftest(mod, registration_name=conftestpath_plugin_name) File "/opt/venv/lib/python3.10/site-packages/_pytest/config/__init__.py", line 823, in consider_conftest self.register(conftestmodule, name=registration_name) File "/opt/venv/lib/python3.10/site-packages/_pytest/config/__init__.py", line 508, in register plugin_name = super().register(plugin, name) File "/opt/venv/lib/python3.10/site-packages/pluggy/_manager.py", line 168, in register self._verify_hook(hook, hookimpl) File "/opt/venv/lib/python3.10/site-packages/pluggy/_manager.py", line 360, in _verify_hook _warn_for_function(argname_warning, hookimpl.function) File "/opt/venv/lib/python3.10/site-packages/pluggy/_manager.py", line 41, in _warn_for_function warnings.warn_explicit( pytest.PytestRemovedIn9Warning: The (startdir: py.path.local) argument is deprecated, please use (start_path: pathlib.Path) see https://docs.pytest.org/en/latest/deprecations.html#py-path-local-arguments-for-hooks-replaced-with-pathlib-path Summary: Something is wrong with ASE commit 7879184. Status: FAILED Removing intermediate container 16579affd769 ---> 3b43d007f23f Step 40/41 : CMD cat $(find ./report.log -mmin +10) | sed '/^Summary:/ s/$/ (cached)/' ---> Running in b3c9a81e9e5f Removing intermediate container b3c9a81e9e5f ---> 52e986f9262c Step 41/41 : ENTRYPOINT [] ---> Running in 21eacf0d72de Removing intermediate container 21eacf0d72de ---> 8181b530ec00 [Warning] One or more build-args [GIT_COMMIT_SHA] were not consumed Successfully built 8181b530ec00 Successfully tagged us-central1-docker.pkg.dev/cp2k-org-project/cp2kci/img_cp2k-ase:master Pushing new image... done. #################### Running Image cp2k-ase #################### Uploading artifacts... done EndDate: 2024-05-01 06:15:56+00:00