diff --git a/.ci/slurm/build.sbatch.in b/.ci/slurm/build.sbatch.in index 8f6f73a97f9..15de045b524 100644 --- a/.ci/slurm/build.sbatch.in +++ b/.ci/slurm/build.sbatch.in @@ -2,6 +2,7 @@ #SBATCH --job-name=@JOB_NAME@ #SBATCH --partition=@PARTITION@ #SBATCH --qos=@QOS@ +#SBATCH --account=abacus-group #SBATCH --nodes=@NODES@ #SBATCH --ntasks=@TASKS@ #SBATCH --ntasks-per-node=@TASKS_PER_NODE@ diff --git a/.ci/slurm/case.sbatch.in b/.ci/slurm/case.sbatch.in index 91e22fb51d0..55d861bfab5 100644 --- a/.ci/slurm/case.sbatch.in +++ b/.ci/slurm/case.sbatch.in @@ -2,6 +2,7 @@ #SBATCH --job-name=@JOB_NAME@ #SBATCH --partition=@PARTITION@ #SBATCH --qos=@QOS@ +#SBATCH --account=abacus-group #SBATCH --nodes=@NODES@ #SBATCH --ntasks=@TASKS@ #SBATCH --ntasks-per-node=@TASKS_PER_NODE@ diff --git a/.ci/slurm/config.ini b/.ci/slurm/config.ini index 328cd3a9c30..3aeb77cba5f 100644 --- a/.ci/slurm/config.ini +++ b/.ci/slurm/config.ini @@ -701,37 +701,37 @@ runner = autotest_gpu [case.115] suite = 01_PW -name = 090_PW_VWR +name = 091_PW_VWR resource = pw_gpu1 runner = autotest_gpu [case.116] suite = 01_PW -name = 091_PW_CR_VDW3 +name = 092_PW_CR_VDW3 resource = pw_gpu1 runner = autotest_gpu [case.117] suite = 01_PW -name = 094_PW_NPT +name = 095_PW_NPT resource = pw_gpu1 runner = autotest_gpu [case.118] suite = 01_PW -name = 098_PW_15_SO_avg +name = 099_PW_15_SO_avg resource = pw_gpu1 runner = autotest_gpu [case.119] suite = 01_PW -name = 101_PW_MD_1O +name = 102_PW_MD_1O resource = pw_gpu1 runner = autotest_gpu [case.120] suite = 01_PW -name = 102_PW_MD_2O +name = 103_PW_MD_2O resource = pw_gpu1 runner = autotest_gpu @@ -752,3 +752,9 @@ suite = 07_OFDFT name = 31_OF_KE_WT_GPU resource = pw_gpu1 runner = autotest + +[case.124] +suite = 01_PW +name = 090_PW_out_pchg_wfc_spinor +resource = pw_gpu1 +runner = autotest_gpu diff --git a/.ci/slurm/slurm.py b/.ci/slurm/slurm.py index 04e057d214f..d2e21cd42a8 100644 --- a/.ci/slurm/slurm.py +++ b/.ci/slurm/slurm.py @@ -31,7 +31,7 @@ def _run(command: Sequence[str]) -> str: return result.stdout def submit(self, script: Path, array_count: Optional[int] = None) -> str: - output = self._run(("sbatch", "--parsable", str(script))).strip() + output = self._run(("sbatch", "--account=abacus-group", "--parsable", str(script))).strip() match = re.fullmatch(r"([0-9]+)(?:;[A-Za-z0-9_.-]+)?", output) if not match: raise SlurmError("invalid sbatch output: {!r}".format(output)) diff --git a/.ci/slurm/test_runner.py b/.ci/slurm/test_runner.py index 05c92d7d604..067085c8e80 100644 --- a/.ci/slurm/test_runner.py +++ b/.ci/slurm/test_runner.py @@ -42,7 +42,7 @@ def valid_result(): class ConfigTests(unittest.TestCase): def test_current_matrix_is_loaded_from_ini(self): config = runner.load_config() - self.assertEqual(len(config.cases), 123) + self.assertEqual(len(config.cases), 124) self.assertEqual(list(config.resources), ["gpu1", "gpu2", "gpu4", "gpu4x2", "pw_gpu1"]) self.assertEqual(config.resources["gpu4"].label, "4 GPUs") self.assertEqual(config.resources["gpu4x2"].label, "2 nodes / 8 GPUs") @@ -60,7 +60,7 @@ def test_current_matrix_is_loaded_from_ini(self): }, ) pw_cases = [case for case in config.cases if case.suite == "01_PW"] - self.assertEqual(len(pw_cases), 73) + self.assertEqual(len(pw_cases), 74) self.assertTrue(all(case.resource == "pw_gpu1" for case in pw_cases)) self.assertTrue(all(case.runner == "autotest_gpu" for case in pw_cases)) ofdft_cases = [case for case in config.cases if case.suite == "07_OFDFT"] @@ -815,7 +815,7 @@ def test_local_result_summary_is_concise_and_points_to_artifacts(self): runner._print_result(result, root, "/remote/archives/manual/1-1.tar.gz") text = output.getvalue() self.assertIn("GPU validation: PASS", text) - self.assertIn("123 passed, 0 failed, 0 infrastructure", text) + self.assertIn("124 passed, 0 failed, 0 infrastructure", text) self.assertIn("Compile PASS", text) self.assertIn("tests/01_PW PASS", text) self.assertRegex(text, r"tests/15_rtTDDFT_GPU\s+PASS")