[acn186:260079] [[27459,0],0] ORTE_ERROR_LOG: Out of resource in file util/show_help.c at line 501 [acn186:260079] [[27459,0],0] ORTE_ERROR_LOG: Out of resource in file util/show_help.c at line 501 /usr/local/lib/python3.8/dist-packages/ase/optimize/lbfgs.py:188: RuntimeWarning: divide by zero encountered in scalar divide rho0 = 1.0 / np.dot(y0, s0) /usr/local/lib/python3.8/dist-packages/ase/optimize/lbfgs.py:134: RuntimeWarning: invalid value encountered in scalar multiply a[i] = rho[i] * np.dot(s[i], q) Traceback (most recent call last): File "../../td/ElasticConstantsCrystal__TD_034002468289_000/runner", line 50, in test( File "/usr/local/lib/python3.8/dist-packages/kim_tools/test_driver/core.py", line 248, in __call__ self._calculate(**kwargs) File "/scratch.global/bwaters/jobs/bwaters/job-9804a666-c6a0-4260-9e97-53e2c116598c-007-07670901-17d5-418e-a7b2-18ee362161a6/TE_426582071064_000-and-SM_154093256665_000-1725050435/staged_job_files/repository/td/ElasticConstantsCrystal__TD_034002468289_000/test_driver/test_driver.py", line 44, in _calculate moduli.results(method=method, escalate=escalate, space_group=space_group, sg_override=sg_override) File "/scratch.global/bwaters/jobs/bwaters/job-9804a666-c6a0-4260-9e97-53e2c116598c-007-07670901-17d5-418e-a7b2-18ee362161a6/TE_426582071064_000-and-SM_154093256665_000-1725050435/staged_job_files/repository/td/ElasticConstantsCrystal__TD_034002468289_000/test_driver/elastic.py", line 878, in results return elastic_constants_raw, elastic_constants_raw_error_estimate, elastic_constants_names, elastic_constants_values, elastic_constants_values_error_estimate, elastic_constants, message UnboundLocalError: local variable 'elastic_constants_raw' referenced before assignment Command exited with non-zero status 1 {"realtime":14495.26,"usertime":4384.90,"systime":26321.92,"memmax":258812,"memavg":0}