Enter a model name: === Verification check vc-memory-leak start (2019-10-31 17:11:10) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 ----------------------------------------------------------------------------------------------------- Results for KIM Model : Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Ca__MO_159753408472_003 Supported species : Ca random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Ca (Configuration in file "config-F-Ca.xyz") ----------------------------------------------------------------------------------------------------- Energy = 734.827663145234 Forces: 1 -2.31882844e+01 -2.27176660e+01 -2.51116755e+01 2 -5.87671738e-01 7.25080402e+00 -3.41813568e+01 3 -4.01639021e+00 -3.19841507e+01 1.08270352e+01 4 -3.25444866e+01 4.80595406e+00 7.50821766e+00 5 1.55159684e+01 -3.15900357e+01 -2.21903578e+01 6 2.00584759e+01 -1.03163727e+00 -2.70769912e+01 7 2.28041326e+01 -4.21892506e+01 -2.29612383e+01 8 -2.35022696e+01 -1.95804790e+01 -7.02049146e+00 9 -2.39542251e+01 -1.09037409e-01 -3.78111120e+01 10 -6.50723936e+00 3.70440507e+01 -4.15355292e+01 11 -9.52245012e+00 -1.97500151e+01 8.47144637e-01 12 -3.41640369e+01 3.09521636e+01 -2.81857481e+00 13 3.87631131e+00 -9.61357885e+00 -5.53985976e+01 14 2.33356378e+01 2.25169724e+01 -1.75829548e+01 15 5.62835264e+01 1.98969144e+00 -1.17291279e+01 16 1.60423182e+01 4.85577383e+01 2.43088660e+00 17 -3.26347204e+01 -3.08856946e+01 -5.07183559e+00 18 4.54872773e+00 1.11673973e+01 -3.90561330e+00 19 5.99576367e-01 -3.14707856e+01 2.49361849e+01 20 -2.25909178e+01 9.56563235e+00 2.98135839e+01 21 -7.84333032e+00 -3.63451116e+01 8.04965590e+00 22 4.97425174e+01 8.72740883e+00 1.96377475e+01 23 1.96050115e+01 -1.27973361e+01 2.39420985e+01 24 1.24668442e+00 3.30914328e+00 2.98282180e+01 25 -3.62498172e+01 -5.67291761e+00 9.65825393e+00 26 -9.40422278e+00 4.09979153e+01 1.32050135e+01 27 1.94890479e+00 -2.08623820e+01 2.77400051e+01 28 -3.31594333e+01 2.84650613e+01 1.71882764e+01 29 -1.01208958e+01 7.23267374e-01 1.84439083e+01 30 3.19276237e+01 3.51903609e+01 1.60012696e+00 31 3.49923350e+01 -5.29570983e+00 3.75693971e+01 32 7.46264024e+00 3.06322267e+01 3.11697021e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ca (Configuration in file "config-T-Ca.xyz") ----------------------------------------------------------------------------------------------------- Energy = 734.827663145234 Forces: 1 -2.31882844e+01 -2.27176660e+01 -2.51116755e+01 2 -5.87671738e-01 7.25080402e+00 -3.41813568e+01 3 -4.01639021e+00 -3.19841507e+01 1.08270352e+01 4 -3.25444866e+01 4.80595406e+00 7.50821766e+00 5 1.55159684e+01 -3.15900357e+01 -2.21903578e+01 6 2.00584759e+01 -1.03163727e+00 -2.70769912e+01 7 2.28041326e+01 -4.21892506e+01 -2.29612383e+01 8 -2.35022696e+01 -1.95804790e+01 -7.02049146e+00 9 -2.39542251e+01 -1.09037409e-01 -3.78111120e+01 10 -6.50723936e+00 3.70440507e+01 -4.15355292e+01 11 -9.52245012e+00 -1.97500151e+01 8.47144637e-01 12 -3.41640369e+01 3.09521636e+01 -2.81857481e+00 13 3.87631131e+00 -9.61357885e+00 -5.53985976e+01 14 2.33356378e+01 2.25169724e+01 -1.75829548e+01 15 5.62835264e+01 1.98969144e+00 -1.17291279e+01 16 1.60423182e+01 4.85577383e+01 2.43088660e+00 17 -3.26347204e+01 -3.08856946e+01 -5.07183559e+00 18 4.54872773e+00 1.11673973e+01 -3.90561330e+00 19 5.99576367e-01 -3.14707856e+01 2.49361849e+01 20 -2.25909178e+01 9.56563235e+00 2.98135839e+01 21 -7.84333032e+00 -3.63451116e+01 8.04965590e+00 22 4.97425174e+01 8.72740883e+00 1.96377475e+01 23 1.96050115e+01 -1.27973361e+01 2.39420985e+01 24 1.24668442e+00 3.30914328e+00 2.98282180e+01 25 -3.62498172e+01 -5.67291761e+00 9.65825393e+00 26 -9.40422278e+00 4.09979153e+01 1.32050135e+01 27 1.94890479e+00 -2.08623820e+01 2.77400051e+01 28 -3.31594333e+01 2.84650613e+01 1.71882764e+01 29 -1.01208958e+01 7.23267374e-01 1.84439083e+01 30 3.19276237e+01 3.51903609e+01 1.60012696e+00 31 3.49923350e+01 -5.29570983e+00 3.75693971e+01 32 7.46264024e+00 3.06322267e+01 3.11697021e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==74360== Memcheck, a memory error detector ==74360== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==74360== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==74360== Command: python runner2.py Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Ca__MO_159753408472_003 ==74360== ==74360== Conditional jump or move depends on uninitialised value(s) ==74360== at 0x4FCBE77: __wcsnlen_avx2 (strlen-avx2.S:261) ==74360== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==74360== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==74360== by 0x54744F: ??? (in /usr/bin/python3.6) ==74360== by 0x6332BD: _Py_stat (in /usr/bin/python3.6) ==74360== by 0x5BA510: ??? (in /usr/bin/python3.6) ==74360== by 0x551760: ??? (in /usr/bin/python3.6) ==74360== by 0x5AA69B: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==74360== by 0x50AB52: ??? (in /usr/bin/python3.6) ==74360== by 0x50C548: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==74360== by 0x509CE7: ??? (in /usr/bin/python3.6) ==74360== by 0x50AA1C: ??? (in /usr/bin/python3.6) ==74360== ==74360== Conditional jump or move depends on uninitialised value(s) ==74360== at 0x4E63408: internal_utf8_loop (loop.c:298) ==74360== by 0x4E63408: __gconv_transform_internal_utf8 (skeleton.c:609) ==74360== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==74360== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==74360== by 0x54744F: ??? (in /usr/bin/python3.6) ==74360== by 0x6332BD: _Py_stat (in /usr/bin/python3.6) ==74360== by 0x5BA510: ??? (in /usr/bin/python3.6) ==74360== by 0x551760: ??? (in /usr/bin/python3.6) ==74360== by 0x5AA69B: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==74360== by 0x50AB52: ??? (in /usr/bin/python3.6) ==74360== by 0x50C548: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==74360== by 0x509CE7: ??? (in /usr/bin/python3.6) ==74360== by 0x50AA1C: ??? (in /usr/bin/python3.6) ==74360== ==74360== Conditional jump or move depends on uninitialised value(s) ==74360== at 0x4E63411: internal_utf8_loop (loop.c:303) ==74360== by 0x4E63411: __gconv_transform_internal_utf8 (skeleton.c:609) ==74360== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==74360== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==74360== by 0x54744F: ??? (in /usr/bin/python3.6) ==74360== by 0x6332BD: _Py_stat (in /usr/bin/python3.6) ==74360== by 0x5BA510: ??? (in /usr/bin/python3.6) ==74360== by 0x551760: ??? (in /usr/bin/python3.6) ==74360== by 0x5AA69B: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==74360== by 0x50AB52: ??? (in /usr/bin/python3.6) ==74360== by 0x50C548: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==74360== by 0x509CE7: ??? (in /usr/bin/python3.6) ==74360== by 0x50AA1C: ??? (in /usr/bin/python3.6) ==74360== ==74360== Conditional jump or move depends on uninitialised value(s) ==74360== at 0x4E63458: internal_utf8_loop (loop.c:298) ==74360== by 0x4E63458: __gconv_transform_internal_utf8 (skeleton.c:609) ==74360== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==74360== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==74360== by 0x54744F: ??? (in /usr/bin/python3.6) ==74360== by 0x6332BD: _Py_stat (in /usr/bin/python3.6) ==74360== by 0x5BA510: ??? (in /usr/bin/python3.6) ==74360== by 0x551760: ??? (in /usr/bin/python3.6) ==74360== by 0x5AA69B: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==74360== by 0x50AB52: ??? (in /usr/bin/python3.6) ==74360== by 0x50C548: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==74360== by 0x509CE7: ??? (in /usr/bin/python3.6) ==74360== by 0x50AA1C: ??? (in /usr/bin/python3.6) ==74360== ==74360== Conditional jump or move depends on uninitialised value(s) ==74360== at 0x4FCBCEC: __wcsnlen_avx2 (strlen-avx2.S:103) ==74360== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==74360== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==74360== by 0x54744F: ??? (in /usr/bin/python3.6) ==74360== by 0x547730: PyUnicode_FSConverter (in /usr/bin/python3.6) ==74360== by 0x4C4EC6: ??? (in /usr/bin/python3.6) ==74360== by 0x4F81E8: ??? (in /usr/bin/python3.6) ==74360== by 0x4FBC03: ??? (in /usr/bin/python3.6) ==74360== by 0x4FC794: _PyArg_ParseStack_SizeT (in /usr/bin/python3.6) ==74360== by 0x4C65C8: ??? (in /usr/bin/python3.6) ==74360== by 0x50A979: ??? (in /usr/bin/python3.6) ==74360== by 0x50C548: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==74360== ==74360== ==74360== HEAP SUMMARY: ==74360== in use at exit: 2,725,642 bytes in 1,595 blocks ==74360== total heap usage: 35,449 allocs, 33,854 frees, 62,777,582 bytes allocated ==74360== ==74360== LEAK SUMMARY: ==74360== definitely lost: 0 bytes in 0 blocks ==74360== indirectly lost: 0 bytes in 0 blocks ==74360== possibly lost: 143,897 bytes in 85 blocks ==74360== still reachable: 2,581,745 bytes in 1,510 blocks ==74360== suppressed: 0 bytes in 0 blocks ==74360== Rerun with --leak-check=full to see details of leaked memory ==74360== ==74360== For counts of detected and suppressed errors, rerun with: -v ==74360== Use --track-origins=yes to see where uninitialised values come from ==74360== ERROR SUMMARY: 6672 errors from 5 contexts (suppressed: 16252 from 625) ================================================================================ 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. === Verification check vc-memory-leak end (2019-10-31 17:11:40) ===