!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! VERIFICATION CHECK: vc-memory-leak !!!!! !!!!! !!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! Description: Check that the model has no memory leaks. This is tested using the Valgrind memory debugging tool (http://valgrind.org) by performing a series of energy and force calculations on a randomly distorted face-centered cubic (FCC) cube base structure for both non-periodic and periodic boundary conditions. Separate configurations are tested for each species supported by the model, as well as one containing a random distribution of all species. Configurations used for testing are provided as auxiliary files. Author: Ellad Tadmor and Daniel S. Karls ----------------------------------------------------------------------------------------------------- Results for KIM Model : EAM_MagneticCubic_DerletNguyenDudarev_2007_W__MO_195478838873_002 Supported species : W random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = W (Configuration in file "config-F-W.xyz") ----------------------------------------------------------------------------------------------------- Energy = 1067.5592763637428 Forces: 1 -4.87396096e+01 -7.30632593e+01 -8.18774656e+01 2 -6.43728990e+01 8.53354175e+01 -9.82419891e+01 3 2.36250441e+00 -1.22718989e+02 -1.29942427e+01 4 -7.00085552e+01 2.14170361e+01 2.34296526e+01 5 9.48489028e+01 -1.50369791e+02 -5.48416920e+01 6 3.31489461e+01 2.13077255e+01 -6.30038635e+01 7 1.01238438e+02 -2.31704434e+02 -1.92945619e+02 8 -6.55756938e+01 -9.85747231e+01 -9.36516684e+01 9 -9.63925821e+01 -1.15170283e+02 -1.94425330e+02 10 -4.49237859e+01 2.54018498e+02 -2.11464727e+02 11 -9.92982255e+01 -1.47788966e+02 7.63613400e+01 12 -1.49091363e+02 1.78412881e+02 6.98867794e+01 13 1.12674926e+02 -1.42599297e+02 -3.42762123e+02 14 5.91593615e+01 7.25156094e+01 -6.40759330e+01 15 2.96458715e+02 -4.84455627e+01 -3.52565614e+01 16 8.13451688e+01 3.21966427e+02 1.04660425e+02 17 -1.22270700e+02 -5.53179143e+01 -2.84946794e+01 18 -9.39992255e+01 6.66932685e+01 7.79321495e+01 19 4.68061556e+01 -9.83681863e+01 7.93666624e+01 20 -4.61641547e+01 6.82554164e+01 5.77054558e+01 21 -8.72833568e+01 -1.40801142e+02 8.71139509e+01 22 1.96692009e+02 1.56318693e+02 1.51920400e+02 23 3.97226266e+01 -2.25344461e+01 7.23777332e+01 24 2.64673712e+01 5.91233357e+00 6.60749710e+01 25 -1.42364196e+02 -4.40524557e+01 1.06705583e+02 26 -7.38368097e+01 2.09181085e+02 -7.86078036e+01 27 1.73246561e+01 -2.36434460e+02 1.12103104e+02 28 -1.89383773e+02 1.49386655e+02 5.18731626e+01 29 -5.09669846e+01 -9.02401622e+01 1.06971073e+02 30 1.00331578e+02 1.47675233e+02 1.34963995e+01 31 1.54701774e+02 -9.02005141e+01 1.28498549e+02 32 8.13887810e+01 1.49988307e+02 1.66166307e+02 MONOATOMIC STRUCTURE (pbc=True)-- Species = W (Configuration in file "config-T-W.xyz") ----------------------------------------------------------------------------------------------------- Energy = 1067.5592763637428 Forces: 1 -4.87396096e+01 -7.30632593e+01 -8.18774656e+01 2 -6.43728990e+01 8.53354175e+01 -9.82419891e+01 3 2.36250441e+00 -1.22718989e+02 -1.29942427e+01 4 -7.00085552e+01 2.14170361e+01 2.34296526e+01 5 9.48489028e+01 -1.50369791e+02 -5.48416920e+01 6 3.31489461e+01 2.13077255e+01 -6.30038635e+01 7 1.01238438e+02 -2.31704434e+02 -1.92945619e+02 8 -6.55756938e+01 -9.85747231e+01 -9.36516684e+01 9 -9.63925821e+01 -1.15170283e+02 -1.94425330e+02 10 -4.49237859e+01 2.54018498e+02 -2.11464727e+02 11 -9.92982255e+01 -1.47788966e+02 7.63613400e+01 12 -1.49091363e+02 1.78412881e+02 6.98867794e+01 13 1.12674926e+02 -1.42599297e+02 -3.42762123e+02 14 5.91593615e+01 7.25156094e+01 -6.40759330e+01 15 2.96458715e+02 -4.84455627e+01 -3.52565614e+01 16 8.13451688e+01 3.21966427e+02 1.04660425e+02 17 -1.22270700e+02 -5.53179143e+01 -2.84946794e+01 18 -9.39992255e+01 6.66932685e+01 7.79321495e+01 19 4.68061556e+01 -9.83681863e+01 7.93666624e+01 20 -4.61641547e+01 6.82554164e+01 5.77054558e+01 21 -8.72833568e+01 -1.40801142e+02 8.71139509e+01 22 1.96692009e+02 1.56318693e+02 1.51920400e+02 23 3.97226266e+01 -2.25344461e+01 7.23777332e+01 24 2.64673712e+01 5.91233357e+00 6.60749710e+01 25 -1.42364196e+02 -4.40524557e+01 1.06705583e+02 26 -7.38368097e+01 2.09181085e+02 -7.86078036e+01 27 1.73246561e+01 -2.36434460e+02 1.12103104e+02 28 -1.89383773e+02 1.49386655e+02 5.18731626e+01 29 -5.09669846e+01 -9.02401622e+01 1.06971073e+02 30 1.00331578e+02 1.47675233e+02 1.34963995e+01 31 1.54701774e+02 -9.02005141e+01 1.28498549e+02 32 8.13887810e+01 1.49988307e+02 1.66166307e+02 ================================================================================ VALGRIND OUTPUT ================================================================================ ==94870== Memcheck, a memory error detector ==94870== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==94870== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==94870== Command: python runner2.py EAM_MagneticCubic_DerletNguyenDudarev_2007_W__MO_195478838873_002 ==94870== ==94870== Conditional jump or move depends on uninitialised value(s) ==94870== at 0x4FCBE77: __wcsnlen_avx2 (strlen-avx2.S:261) ==94870== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==94870== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==94870== by 0x547A3F: ??? (in /usr/bin/python3.6) ==94870== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==94870== by 0x5BA640: ??? (in /usr/bin/python3.6) ==94870== by 0x551B80: ??? (in /usr/bin/python3.6) ==94870== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==94870== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==94870== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==94870== by 0x509D47: ??? (in /usr/bin/python3.6) ==94870== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==94870== ==94870== Conditional jump or move depends on uninitialised value(s) ==94870== at 0x4E63408: internal_utf8_loop (loop.c:298) ==94870== by 0x4E63408: __gconv_transform_internal_utf8 (skeleton.c:609) ==94870== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==94870== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==94870== by 0x547A3F: ??? (in /usr/bin/python3.6) ==94870== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==94870== by 0x5BA640: ??? (in /usr/bin/python3.6) ==94870== by 0x551B80: ??? (in /usr/bin/python3.6) ==94870== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==94870== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==94870== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==94870== by 0x509D47: ??? (in /usr/bin/python3.6) ==94870== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==94870== ==94870== Conditional jump or move depends on uninitialised value(s) ==94870== at 0x4E63411: internal_utf8_loop (loop.c:303) ==94870== by 0x4E63411: __gconv_transform_internal_utf8 (skeleton.c:609) ==94870== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==94870== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==94870== by 0x547A3F: ??? (in /usr/bin/python3.6) ==94870== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==94870== by 0x5BA640: ??? (in /usr/bin/python3.6) ==94870== by 0x551B80: ??? (in /usr/bin/python3.6) ==94870== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==94870== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==94870== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==94870== by 0x509D47: ??? (in /usr/bin/python3.6) ==94870== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==94870== ==94870== Conditional jump or move depends on uninitialised value(s) ==94870== at 0x4E63458: internal_utf8_loop (loop.c:298) ==94870== by 0x4E63458: __gconv_transform_internal_utf8 (skeleton.c:609) ==94870== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==94870== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==94870== by 0x547A3F: ??? (in /usr/bin/python3.6) ==94870== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==94870== by 0x5BA640: ??? (in /usr/bin/python3.6) ==94870== by 0x551B80: ??? (in /usr/bin/python3.6) ==94870== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==94870== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==94870== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==94870== by 0x509D47: ??? (in /usr/bin/python3.6) ==94870== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==94870== ==94870== Conditional jump or move depends on uninitialised value(s) ==94870== at 0x4FCBCEC: __wcsnlen_avx2 (strlen-avx2.S:103) ==94870== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==94870== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==94870== by 0x547A3F: ??? (in /usr/bin/python3.6) ==94870== by 0x547D20: PyUnicode_FSConverter (in /usr/bin/python3.6) ==94870== by 0x4C51E6: ??? (in /usr/bin/python3.6) ==94870== by 0x4F8388: ??? (in /usr/bin/python3.6) ==94870== by 0x4FBD83: ??? (in /usr/bin/python3.6) ==94870== by 0x4FC914: _PyArg_ParseStack_SizeT (in /usr/bin/python3.6) ==94870== by 0x4C6C88: ??? (in /usr/bin/python3.6) ==94870== by 0x50A9D9: ??? (in /usr/bin/python3.6) ==94870== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==94870== Potential info: W potential Atomic number: 74 Potential info: W potential Atomic number: 74 Potential info: W potential Atomic number: 74 Potential info: W potential Atomic number: 74 ==94870== ==94870== HEAP SUMMARY: ==94870== in use at exit: 2,764,995 bytes in 1,647 blocks ==94870== total heap usage: 36,146 allocs, 34,499 frees, 61,275,772 bytes allocated ==94870== ==94870== LEAK SUMMARY: ==94870== definitely lost: 0 bytes in 0 blocks ==94870== indirectly lost: 0 bytes in 0 blocks ==94870== possibly lost: 146,155 bytes in 87 blocks ==94870== still reachable: 2,618,840 bytes in 1,560 blocks ==94870== suppressed: 0 bytes in 0 blocks ==94870== Rerun with --leak-check=full to see details of leaked memory ==94870== ==94870== For counts of detected and suppressed errors, rerun with: -v ==94870== Use --track-origins=yes to see where uninitialised values come from ==94870== ERROR SUMMARY: 6672 errors from 5 contexts (suppressed: 12382 from 659) ================================================================================ To pass this verification check the number of bytes that are "definitely lost" or "indirectly lost" must be zero. NOTE that Valgrind will typically report non-zero "possibly lost" bytes due to Python's internal memory allocation and garbage collection that it does not monitor. Full Valgrind output written to auxiliary file "valgrind.out" Grade: P Comment: No memory leak detected.