Enter a model name: === Verification check vc-memory-leak start (2020-04-05 21:37:10) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 and Daniel S. Karls ----------------------------------------------------------------------------------------------------- Results for KIM Model : Tersoff_LAMMPS_Tersoff_1989_SiC__MO_171585019474_002 Supported species : C Si random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = C (Configuration in file "config-F-C.xyz") ----------------------------------------------------------------------------------------------------- Energy = 3570.2625166415473 Forces: 1 -1.25206729e+02 -2.12517132e+02 -2.90959734e+02 2 -8.61262690e+01 7.91379388e+01 -3.05647352e+02 3 3.89700180e+01 -3.48769336e+02 -8.95578518e+01 4 -2.77523125e+02 1.57398309e+02 1.71647035e+01 5 -1.12675160e+01 -3.79505368e+02 -8.76232798e+01 6 1.49689151e+02 -6.54642281e+01 -1.56031061e+02 7 -1.08131735e+02 -2.23899833e+02 -8.18816265e+01 8 2.72823955e+02 -5.21325755e+02 -1.88012735e+01 9 -1.59042695e+02 -7.15983108e+01 -4.03268360e+02 10 -3.38360686e+01 4.04047219e+02 -5.12201261e+02 11 -2.41232219e+02 -4.17759322e+02 -1.01023011e+02 12 -3.58215444e+02 2.87073212e+02 -3.35732291e+00 13 -2.32094690e+02 -5.84038769e+00 -9.96420633e+02 14 1.95439009e+02 2.08437471e+02 -1.67363755e+02 15 7.15126989e+02 5.47731822e+02 3.32260340e+02 16 2.79804436e+02 4.70525221e+02 -2.10273505e+01 17 -4.71855632e+02 -2.93315756e+02 -6.16149899e+01 18 1.23549959e+02 1.68526915e+02 6.15550242e+00 19 2.63746804e+02 -2.91358105e+02 2.35285328e+02 20 -1.38740743e+02 2.07935628e+02 3.39178310e+02 21 -5.10163026e+01 -3.41229758e+02 2.59474460e+02 22 4.06663246e+02 -7.24711145e+00 6.82228023e+01 23 1.95678813e+02 -8.22367013e+01 1.81620338e+02 24 -5.71179850e+01 -4.47275193e+01 2.22625068e+02 25 -4.66752267e+02 -7.96525089e+01 6.53667990e+00 26 -1.24261671e+02 5.14273856e+02 2.72548575e+02 27 3.41797191e+02 -4.27860458e+02 2.38061479e+02 28 -7.33692537e+02 5.37654899e+02 2.46827283e+02 29 -7.01042206e+01 -1.71289219e+02 2.29003339e+02 30 3.47479329e+02 3.53660071e+02 -4.16248232e+01 31 3.04655069e+02 -1.78690416e+02 3.73693211e+02 32 1.10793880e+02 2.27884666e+02 3.09746267e+02 MONOATOMIC STRUCTURE (pbc=True)-- Species = C (Configuration in file "config-T-C.xyz") ----------------------------------------------------------------------------------------------------- Energy = 3570.2625166415473 Forces: 1 -1.25206729e+02 -2.12517132e+02 -2.90959734e+02 2 -8.61262690e+01 7.91379388e+01 -3.05647352e+02 3 3.89700180e+01 -3.48769336e+02 -8.95578518e+01 4 -2.77523125e+02 1.57398309e+02 1.71647035e+01 5 -1.12675160e+01 -3.79505368e+02 -8.76232798e+01 6 1.49689151e+02 -6.54642281e+01 -1.56031061e+02 7 -1.08131735e+02 -2.23899833e+02 -8.18816265e+01 8 2.72823955e+02 -5.21325755e+02 -1.88012735e+01 9 -1.59042695e+02 -7.15983108e+01 -4.03268360e+02 10 -3.38360686e+01 4.04047219e+02 -5.12201261e+02 11 -2.41232219e+02 -4.17759322e+02 -1.01023011e+02 12 -3.58215444e+02 2.87073212e+02 -3.35732291e+00 13 -2.32094690e+02 -5.84038769e+00 -9.96420633e+02 14 1.95439009e+02 2.08437471e+02 -1.67363755e+02 15 7.15126989e+02 5.47731822e+02 3.32260340e+02 16 2.79804436e+02 4.70525221e+02 -2.10273505e+01 17 -4.71855632e+02 -2.93315756e+02 -6.16149899e+01 18 1.23549959e+02 1.68526915e+02 6.15550242e+00 19 2.63746804e+02 -2.91358105e+02 2.35285328e+02 20 -1.38740743e+02 2.07935628e+02 3.39178310e+02 21 -5.10163026e+01 -3.41229758e+02 2.59474460e+02 22 4.06663246e+02 -7.24711145e+00 6.82228023e+01 23 1.95678813e+02 -8.22367013e+01 1.81620338e+02 24 -5.71179850e+01 -4.47275193e+01 2.22625068e+02 25 -4.66752267e+02 -7.96525089e+01 6.53667990e+00 26 -1.24261671e+02 5.14273856e+02 2.72548575e+02 27 3.41797191e+02 -4.27860458e+02 2.38061479e+02 28 -7.33692537e+02 5.37654899e+02 2.46827283e+02 29 -7.01042206e+01 -1.71289219e+02 2.29003339e+02 30 3.47479329e+02 3.53660071e+02 -4.16248232e+01 31 3.04655069e+02 -1.78690416e+02 3.73693211e+02 32 1.10793880e+02 2.27884666e+02 3.09746267e+02 MONOATOMIC STRUCTURE (pbc=False)-- Species = Si (Configuration in file "config-F-Si.xyz") ----------------------------------------------------------------------------------------------------- Energy = 205.16126386103954 Forces: 1 -3.39656730e+01 -1.50127382e+01 -3.26705555e+01 2 -2.30879515e+01 7.23333677e+00 -5.79257151e+01 3 7.57622288e+00 -3.77880231e+01 3.49042680e+01 4 -2.78940534e+01 -2.41101393e+01 -2.00737183e+01 5 1.97939903e+01 -3.03611032e+01 -2.06958244e+01 6 3.33108008e+01 -1.37102130e+01 -1.96402669e+01 7 1.98761644e+01 -4.38902574e+01 -2.87811286e+01 8 1.12493965e+01 7.08542908e+00 1.06675860e+01 9 -7.37606836e+00 2.88134410e+00 -1.93918772e+01 10 -7.06560911e+00 1.54600937e+01 -1.76321142e+01 11 5.31680095e-01 3.67703970e+01 -9.59637705e+00 12 -1.03383887e+01 3.29544709e+01 -2.36456353e+00 13 -5.44500455e-01 1.28824829e+01 -2.66723279e+01 14 5.48352845e+00 1.29787454e+01 -8.64569520e+00 15 1.89085543e+01 9.46496980e+00 1.41332338e+01 16 2.08394064e+01 2.13037487e+01 -1.82362167e+01 17 -9.44676058e+00 -1.17117050e+01 7.43343302e+00 18 -8.00125427e+00 -1.42135382e+01 2.84742190e+01 19 -8.28782515e+00 -1.18114135e+01 9.68456459e+00 20 -1.71623117e+01 2.84141142e+00 1.31354320e+01 21 -1.94697395e+01 -3.39581499e+01 8.76988260e+00 22 2.96964608e+01 3.02697748e+01 1.51727457e+01 23 1.42473243e+01 -9.14597065e+00 2.39450874e+01 24 1.01595649e+01 -3.24873395e+01 4.65981767e+01 25 -2.82188238e+01 8.40570006e+00 3.43537639e+01 26 -4.50829765e+01 2.56895644e+01 -1.62403898e+01 27 -5.44616313e+01 -2.14167695e+01 5.06084365e+01 28 -9.62569412e+00 4.42040517e+00 3.91260688e+00 29 1.43298191e+01 -1.53689490e+01 -5.67421655e+01 30 5.57752183e+01 3.48482580e+01 -3.21203115e+01 31 4.01084035e+01 -1.18085704e+01 2.79259794e+01 32 8.14272620e+00 6.13047477e+01 5.77098318e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Si (Configuration in file "config-T-Si.xyz") ----------------------------------------------------------------------------------------------------- Energy = 205.16126386103954 Forces: 1 -3.39656730e+01 -1.50127382e+01 -3.26705555e+01 2 -2.30879515e+01 7.23333677e+00 -5.79257151e+01 3 7.57622288e+00 -3.77880231e+01 3.49042680e+01 4 -2.78940534e+01 -2.41101393e+01 -2.00737183e+01 5 1.97939903e+01 -3.03611032e+01 -2.06958244e+01 6 3.33108008e+01 -1.37102130e+01 -1.96402669e+01 7 1.98761644e+01 -4.38902574e+01 -2.87811286e+01 8 1.12493965e+01 7.08542908e+00 1.06675860e+01 9 -7.37606836e+00 2.88134410e+00 -1.93918772e+01 10 -7.06560911e+00 1.54600937e+01 -1.76321142e+01 11 5.31680095e-01 3.67703970e+01 -9.59637705e+00 12 -1.03383887e+01 3.29544709e+01 -2.36456353e+00 13 -5.44500455e-01 1.28824829e+01 -2.66723279e+01 14 5.48352845e+00 1.29787454e+01 -8.64569520e+00 15 1.89085543e+01 9.46496980e+00 1.41332338e+01 16 2.08394064e+01 2.13037487e+01 -1.82362167e+01 17 -9.44676058e+00 -1.17117050e+01 7.43343302e+00 18 -8.00125427e+00 -1.42135382e+01 2.84742190e+01 19 -8.28782515e+00 -1.18114135e+01 9.68456459e+00 20 -1.71623117e+01 2.84141142e+00 1.31354320e+01 21 -1.94697395e+01 -3.39581499e+01 8.76988260e+00 22 2.96964608e+01 3.02697748e+01 1.51727457e+01 23 1.42473243e+01 -9.14597065e+00 2.39450874e+01 24 1.01595649e+01 -3.24873395e+01 4.65981767e+01 25 -2.82188238e+01 8.40570006e+00 3.43537639e+01 26 -4.50829765e+01 2.56895644e+01 -1.62403898e+01 27 -5.44616313e+01 -2.14167695e+01 5.06084365e+01 28 -9.62569412e+00 4.42040517e+00 3.91260688e+00 29 1.43298191e+01 -1.53689490e+01 -5.67421655e+01 30 5.57752183e+01 3.48482580e+01 -3.21203115e+01 31 4.01084035e+01 -1.18085704e+01 2.79259794e+01 32 8.14272620e+00 6.13047477e+01 5.77098318e+01 MIXED STRUCTURE (pbc=False)-- Species = C Si (Configuration in file "config-F-CSi.xyz") ----------------------------------------------------------------------------------------------------- Energy = 27.091832720769357 Forces: 1 -1.91584373e+01 -2.13063361e+01 -2.51224739e+01 2 -9.99178332e+00 6.37946869e+00 -1.61899310e+01 3 -1.44318544e+01 -2.93756515e+01 4.75214403e+00 4 -6.07711424e+00 2.04531899e+01 1.04666148e+01 5 1.51487806e+01 -3.27344015e+01 -2.99397713e+01 6 2.33142567e+01 -1.59115490e-01 -1.39159979e+01 7 1.17021218e+01 -8.23438963e+00 1.13520224e+01 8 1.82272692e+01 9.95153568e+00 1.97184595e+01 9 4.56745802e-01 -4.94272847e-01 3.42449779e-01 10 -1.05324550e+00 2.75768340e+00 -3.95014184e+00 11 -9.51972359e+00 5.11664452e+00 3.56658413e+00 12 2.49265854e+00 -9.38424135e-01 1.10497657e+01 13 -7.74993456e+00 2.65170086e+01 -2.55812573e+01 14 1.65222072e+01 8.11190088e-01 -5.72599865e+00 15 7.49076397e+00 1.93172048e+00 1.18194904e-01 16 -1.33140706e+01 5.22435848e+00 9.33770980e+00 17 -4.04835393e+01 -1.90623850e+01 1.14384289e+01 18 1.25432416e+01 1.87509961e+01 1.73325871e+00 19 -2.13172780e+00 -2.13204054e+00 1.43161131e+01 20 -2.78084258e+01 -3.41120831e+01 3.25244123e+01 21 1.43981594e+01 -1.04861354e+01 -5.02303407e+00 22 1.03454133e+01 1.87126224e+01 -1.67626335e+01 23 1.53055424e+01 -2.64671213e+01 1.43151071e+01 24 -1.81982117e+01 9.44768372e+00 8.31077417e+00 25 -1.63378737e+01 2.84488981e+00 -4.36831871e+01 26 4.37533051e-02 8.77453055e+00 -1.20914281e+01 27 3.40762697e+01 1.23561242e+01 1.73822248e+01 28 -9.14416928e+00 1.89463354e+01 1.39168650e+01 29 -3.59045062e+00 9.56191680e+00 2.25459277e+00 30 1.18978691e+01 2.29295472e+01 -1.20533640e+01 31 6.41511522e+00 -1.76457848e+01 2.20135875e+01 32 -1.38960611e+00 1.68069539e+00 1.12990952e+00 MIXED STRUCTURE (pbc=True)-- Species = C Si (Configuration in file "config-T-CSi.xyz") ----------------------------------------------------------------------------------------------------- Energy = 72.642865071534 Forces: 1 -2.04631277e+01 -1.45438314e+01 -4.01928214e+01 2 -7.39542585e+00 1.72043161e+00 -8.12194623e+00 3 -1.12385197e+01 -1.94438376e+01 1.16218764e+01 4 -5.53529453e-02 2.95990801e+01 1.13069873e+01 5 2.32024001e+01 -2.36917303e+01 -3.61267665e+01 6 1.91820591e+01 4.35192294e+00 -9.29880349e+00 7 -1.25809240e+01 -7.37032707e+00 1.86871022e+01 8 1.83643872e+01 1.05137061e+01 1.98572633e+01 9 1.68676141e-01 -3.26567788e+00 9.03422324e+00 10 1.06554211e+01 -1.59527269e+01 -3.20368810e+00 11 -1.05225185e+01 5.39216765e+00 2.27217854e+00 12 -2.36785341e+00 -1.05856641e+01 1.34895271e+01 13 -1.90569020e+00 3.19651195e+01 -3.35927426e+00 14 2.11457744e+01 -6.85370071e-01 -7.41694989e+00 15 7.94772801e+00 -1.10927545e+00 -2.55594963e-02 16 -1.66190374e+01 -2.27347650e+00 1.47475595e+01 17 -2.89102293e+01 -1.74873830e+01 1.76958605e+01 18 1.16818856e+01 1.96687186e+01 3.74116371e+00 19 -1.58513676e-01 -6.56907740e+00 1.53318481e+01 20 -2.15995217e+01 -3.56960874e+01 2.86185040e+01 21 1.71968743e+01 -7.08393226e+00 -4.01978281e+00 22 -2.54687526e-01 1.92251981e+01 -2.45975837e+01 23 7.81272788e+00 -2.54776084e+01 1.79338237e+01 24 -1.20070935e+01 1.91180717e+00 1.41814556e+00 25 -2.84669860e+00 -1.10556418e+00 -5.26559694e+01 26 3.90115027e+00 7.68411607e+00 -7.69095627e+00 27 2.26467431e+01 1.39106256e+01 -2.96782066e+00 28 8.19910640e+00 2.47354217e+01 1.75332788e+01 29 -4.32126958e+00 8.73426768e+00 2.30556659e+00 30 -5.02276783e+00 2.47798973e+01 -2.22918316e+01 31 -1.07728396e+01 -1.66824998e+01 1.76056042e+01 32 -3.06286263e+00 4.83158958e+00 -1.23075897e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==8363== Memcheck, a memory error detector ==8363== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==8363== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==8363== Command: python runner2.py Tersoff_LAMMPS_Tersoff_1989_SiC__MO_171585019474_002 ==8363== ==8363== Conditional jump or move depends on uninitialised value(s) ==8363== at 0x4FCBE77: __wcsnlen_avx2 (strlen-avx2.S:261) ==8363== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==8363== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==8363== by 0x547A3F: ??? (in /usr/bin/python3.6) ==8363== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==8363== by 0x5BA640: ??? (in /usr/bin/python3.6) ==8363== by 0x551B80: ??? (in /usr/bin/python3.6) ==8363== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==8363== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==8363== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==8363== by 0x509D47: ??? (in /usr/bin/python3.6) ==8363== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==8363== ==8363== Conditional jump or move depends on uninitialised value(s) ==8363== at 0x4E63408: internal_utf8_loop (loop.c:298) ==8363== by 0x4E63408: __gconv_transform_internal_utf8 (skeleton.c:609) ==8363== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==8363== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==8363== by 0x547A3F: ??? (in /usr/bin/python3.6) ==8363== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==8363== by 0x5BA640: ??? (in /usr/bin/python3.6) ==8363== by 0x551B80: ??? (in /usr/bin/python3.6) ==8363== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==8363== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==8363== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==8363== by 0x509D47: ??? (in /usr/bin/python3.6) ==8363== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==8363== ==8363== Conditional jump or move depends on uninitialised value(s) ==8363== at 0x4E63411: internal_utf8_loop (loop.c:303) ==8363== by 0x4E63411: __gconv_transform_internal_utf8 (skeleton.c:609) ==8363== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==8363== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==8363== by 0x547A3F: ??? (in /usr/bin/python3.6) ==8363== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==8363== by 0x5BA640: ??? (in /usr/bin/python3.6) ==8363== by 0x551B80: ??? (in /usr/bin/python3.6) ==8363== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==8363== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==8363== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==8363== by 0x509D47: ??? (in /usr/bin/python3.6) ==8363== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==8363== ==8363== Conditional jump or move depends on uninitialised value(s) ==8363== at 0x4E63458: internal_utf8_loop (loop.c:298) ==8363== by 0x4E63458: __gconv_transform_internal_utf8 (skeleton.c:609) ==8363== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==8363== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==8363== by 0x547A3F: ??? (in /usr/bin/python3.6) ==8363== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==8363== by 0x5BA640: ??? (in /usr/bin/python3.6) ==8363== by 0x551B80: ??? (in /usr/bin/python3.6) ==8363== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==8363== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==8363== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==8363== by 0x509D47: ??? (in /usr/bin/python3.6) ==8363== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==8363== ==8363== Conditional jump or move depends on uninitialised value(s) ==8363== at 0x4FCBCEC: __wcsnlen_avx2 (strlen-avx2.S:103) ==8363== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==8363== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==8363== by 0x547A3F: ??? (in /usr/bin/python3.6) ==8363== by 0x547D20: PyUnicode_FSConverter (in /usr/bin/python3.6) ==8363== by 0x4CAD31: ??? (in /usr/bin/python3.6) ==8363== by 0x551B80: ??? (in /usr/bin/python3.6) ==8363== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==8363== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==8363== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==8363== by 0x509D47: ??? (in /usr/bin/python3.6) ==8363== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==8363== ==8363== ==8363== HEAP SUMMARY: ==8363== in use at exit: 2,766,803 bytes in 1,649 blocks ==8363== total heap usage: 55,077 allocs, 53,428 frees, 67,489,094 bytes allocated ==8363== ==8363== LEAK SUMMARY: ==8363== definitely lost: 0 bytes in 0 blocks ==8363== indirectly lost: 0 bytes in 0 blocks ==8363== possibly lost: 146,155 bytes in 87 blocks ==8363== still reachable: 2,620,648 bytes in 1,562 blocks ==8363== suppressed: 0 bytes in 0 blocks ==8363== Rerun with --leak-check=full to see details of leaked memory ==8363== ==8363== For counts of detected and suppressed errors, rerun with: -v ==8363== Use --track-origins=yes to see where uninitialised values come from ==8363== ERROR SUMMARY: 6672 errors from 5 contexts (suppressed: 11621 from 652) ================================================================================ 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 (2020-04-05 21:37:58) ===