AttributeError: module 'posixpath' has no attribute 'exits' Traceback (most recent call last): File "/usr/local/bin/run_openkim_job.py", line 552, in execute_in_place(runner, runner_driver, subject, subject_driver, env) File "/usr/local/bin/run_openkim_job.py", line 396, in execute_in_place if os.path.exits(KIM_TOOLS_LOG_FILE): AttributeError: module 'posixpath' has no attribute 'exits' output/pipeline.stdout: ----------------------- ============================================================================================================================================================ Finished with optimization============================================================================================================================================================ Final lattice Constants: a = [2.75765353] Angstroms, c = [4.50322936] Angstroms, c/a = 1.632993 Total energy: -15.621645045335686 eV Cohesive energy: -3.9054112613339216 eV/atom============================================================================================================================================================ output/pipeline.stderr: ----------------------- /scratch.global/bwaters/jobs/96ff8349-63f5-44bc-a63d-61328abb3892-007/TE_814033190670_005-and-MO_993644691224_001-1751905631/staged_job_files/repository/te/LatticeConstantHexagonalEnergy_hcp_Pd__TE_814033190670_005/../../td/LatticeConstantHexagonalEnergy__TD_942334626465_005/runner:181: FutureWarning: Please use atoms.calc = calc atoms.set_calculator(calc)/scratch.global/bwaters/jobs/96ff8349-63f5-44bc-a63d-61328abb3892-007/TE_814033190670_005-and-MO_993644691224_001-1751905631/staged_job_files/repository/te/LatticeConstantHexagonalEnergy_hcp_Pd__TE_814033190670_005/../../td/LatticeConstantHexagonalEnergy__TD_942334626465_005/runner:334: DeprecationWarning: Conversion of an array with ndim > 0 to a scalar is deprecated, and will error in future. Ensure you extract a single element from your array before performing this operation. (Deprecated NumPy 1.25.) for init_guess_c in np.arange(/scratch.global/bwaters/jobs/96ff8349-63f5-44bc-a63d-61328abb3892-007/TE_814033190670_005-and-MO_993644691224_001-1751905631/staged_job_files/repository/te/LatticeConstantHexagonalEnergy_hcp_Pd__TE_814033190670_005/../../td/LatticeConstantHexagonalEnergy__TD_942334626465_005/runner:134: DeprecationWarning: Conversion of an array with ndim > 0 to a scalar is deprecated, and will error in future. Ensure you extract a single element from your array before performing this operation. (Deprecated NumPy 1.25.) return math.sqrt(hrDist * hrDist + vDist * vDist)/scratch.global/bwaters/jobs/96ff8349-63f5-44bc-a63d-61328abb3892-007/TE_814033190670_005-and-MO_993644691224_001-1751905631/staged_job_files/repository/te/LatticeConstantHexagonalEnergy_hcp_Pd__TE_814033190670_005/../../td/LatticeConstantHexagonalEnergy__TD_942334626465_005/runner:420: DeprecationWarning: Conversion of an array with ndim > 0 to a scalar is deprecated, and will error in future. Ensure you extract a single element from your array before performing this operation. (Deprecated NumPy 1.25.) float(minLatticeConstants[1] / minLatticeConstants[0]),/scratch.global/bwaters/jobs/96ff8349-63f5-44bc-a63d-61328abb3892-007/TE_814033190670_005-and-MO_993644691224_001-1751905631/staged_job_files/repository/te/LatticeConstantHexagonalEnergy_hcp_Pd__TE_814033190670_005/../../td/LatticeConstantHexagonalEnergy__TD_942334626465_005/runner:429: DeprecationWarning: Conversion of an array with ndim > 0 to a scalar is deprecated, and will error in future. Ensure you extract a single element from your array before performing this operation. (Deprecated NumPy 1.25.) float(minLatticeConstants[0]),/scratch.global/bwaters/jobs/96ff8349-63f5-44bc-a63d-61328abb3892-007/TE_814033190670_005-and-MO_993644691224_001-1751905631/staged_job_files/repository/te/LatticeConstantHexagonalEnergy_hcp_Pd__TE_814033190670_005/../../td/LatticeConstantHexagonalEnergy__TD_942334626465_005/runner:430: DeprecationWarning: Conversion of an array with ndim > 0 to a scalar is deprecated, and will error in future. Ensure you extract a single element from your array before performing this operation. (Deprecated NumPy 1.25.) float(minLatticeConstants[1]),{"realtime":5.68,"usertime":4.92,"systime":7.08,"memmax":97304,"memavg":0} output/kim.log: --------------- 2025-07-07:11:29:16CDT * 2 * information * 0x55612c58c480_0x55612c435c70 * KIM_LogImplementation.cpp:243 * Log object renamed. ID changed from '0x55612c435c70'.2025-07-07:11:29:16CDT * 3 * information * 0x55612c58c480_0x55612c435c70 * EAM_Implementation.cpp:1562 * Register argument supportStatus2025-07-07:11:29:16CDT * 4 * information * 0x55612c58c480_0x55612c435c70 * EAM_Implementation.cpp:1581 * Register callback supportStatus2025-07-07:11:29:16CDT * 5 * information * 0x55612c1837b0_0x55612c184830 * KIM_LogImplementation.cpp:119 * Log object destroyed.2025-07-07:11:29:16CDT * 2 * information * 0x55612c1837b0 * KIM_LogImplementation.cpp:119 * Log object destroyed.2025-07-07:11:29:16CDT * 5 * information * 0x55612c184990_0x55612c1841b0 * KIM_LogImplementation.cpp:119 * Log object destroyed.2025-07-07:11:29:16CDT * 2 * information * 0x55612c184990 * KIM_LogImplementation.cpp:119 * Log object destroyed.2025-07-07:11:29:16CDT * 5 * information * 0x55612c19d850_0x55612c1848e0 * KIM_LogImplementation.cpp:119 * Log object destroyed.2025-07-07:11:29:16CDT * 2 * information * 0x55612c19d850 * KIM_LogImplementation.cpp:119 * Log object destroyed.2025-07-07:11:29:16CDT * 5 * information * 0x55612c1846d0_0x55612c184780 * KIM_LogImplementation.cpp:119 * Log object destroyed.2025-07-07:11:29:16CDT * 2 * information * 0x55612c1846d0 * KIM_LogImplementation.cpp:119 * Log object destroyed.2025-07-07:11:29:16CDT * 5 * information * 0x55612c1a2e40_0x55612c19e610 * KIM_LogImplementation.cpp:119 * Log object destroyed.2025-07-07:11:29:16CDT * 2 * information * 0x55612c1a2e40 * KIM_LogImplementation.cpp:119 * Log object destroyed.2025-07-07:11:29:16CDT * 5 * information * 0x55612c3b7a60_0x55612c1a1510 * KIM_LogImplementation.cpp:119 * Log object destroyed.2025-07-07:11:29:16CDT * 2 * information * 0x55612c3b7a60 * KIM_LogImplementation.cpp:119 * Log object destroyed.2025-07-07:11:29:16CDT * 5 * information * 0x55612c462f40_0x55612c38a640 * KIM_LogImplementation.cpp:119 * Log object destroyed.2025-07-07:11:29:16CDT * 2 * information * 0x55612c462f40 * KIM_LogImplementation.cpp:119 * Log object destroyed.2025-07-07:11:29:16CDT * 2 * warning * 0x55612c58c480 * EAM_Implementation.hpp:475 * Particles has density value outside of embedding function interpolation domain, but as LAMMPS equivalence was requested, ignoring2025-07-07:11:29:20CDT * 0 * information * 0x55612c58c480_0x55612c435c70 * KIM_LogImplementation.cpp:119 * Log object destroyed.2025-07-07:11:29:20CDT * 0 * information * 0x55612c58c480 * KIM_LogImplementation.cpp:119 * Log object destroyed. output/kim-tools.log: ---------------------