!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_Dynamo_BonnyPasianotMalerba_2009_FeNi__MO_267721408934_005 Supported species : Fe Ni random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Fe (Configuration in file "config-F-Fe.xyz") ----------------------------------------------------------------------------------------------------- Energy = -12.952720413831232 Forces: 1 -5.87390506e+00 -4.84725585e+00 -8.96036533e+00 2 -9.51453674e+00 1.81155168e+01 -5.95879094e+00 3 9.44585509e+00 -8.06745996e+00 -1.11574291e+00 4 -6.44851547e+00 4.99687440e+00 2.42348448e+00 5 1.12301562e+01 -1.88081719e+01 1.99660501e+00 6 2.20036414e+00 1.52072897e+00 -2.88523802e+00 7 1.54555860e+00 -2.80440210e+01 -3.27455228e+01 8 -1.10151710e+01 -8.67682851e+00 -9.12130977e+00 9 -2.83012403e+00 -4.89971203e+00 -8.22294604e+00 10 -6.36218141e+00 8.28876657e+00 -1.44713702e+01 11 -1.92942690e+00 -7.84689202e+00 -5.03314927e-03 12 -5.78101278e+00 1.08945057e+01 1.76584798e+00 13 -1.40928840e+01 -1.23163327e+01 -3.86032105e+01 14 6.99241989e+00 1.16790911e+01 -8.64130727e+00 15 3.02632570e+01 -1.30592957e+01 1.62195601e+01 16 1.62651102e+00 2.22182786e+01 1.75475705e+01 17 -1.61418810e+01 -2.23089252e+00 -5.73057340e+00 18 1.58347484e+00 4.25906315e+00 2.13663463e+00 19 1.37563803e+01 -1.00153907e+01 1.04492599e+01 20 -5.48634883e+00 9.23914739e+00 3.89303267e+00 21 -1.12803138e+01 -9.97099066e+00 8.01851503e+00 22 2.00730216e+01 2.29261219e+01 2.27546703e+01 23 9.70757116e+00 -5.27105870e+00 5.26362630e+00 24 -8.39078337e+00 6.29691080e+00 3.76629101e+00 25 -8.58804679e+00 -6.52143865e+00 6.14567983e+00 26 1.43759993e+00 1.20868384e+01 -7.17963244e+00 27 2.19335344e+01 -3.65076645e+01 7.82346708e+00 28 -3.21540755e+01 2.72412503e+01 3.55139704e+00 29 -7.45086519e+00 2.08132718e+00 9.99799419e+00 30 5.71752038e+00 9.73752321e+00 5.72126280e+00 31 1.03391007e+01 -4.54757038e+00 6.76153366e+00 32 5.48774658e+00 1.00490313e+01 7.40461028e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Fe (Configuration in file "config-T-Fe.xyz") ----------------------------------------------------------------------------------------------------- Energy = -12.952720413831232 Forces: 1 -5.87390506e+00 -4.84725585e+00 -8.96036533e+00 2 -9.51453674e+00 1.81155168e+01 -5.95879094e+00 3 9.44585509e+00 -8.06745996e+00 -1.11574291e+00 4 -6.44851547e+00 4.99687440e+00 2.42348448e+00 5 1.12301562e+01 -1.88081719e+01 1.99660501e+00 6 2.20036414e+00 1.52072897e+00 -2.88523802e+00 7 1.54555860e+00 -2.80440210e+01 -3.27455228e+01 8 -1.10151710e+01 -8.67682851e+00 -9.12130977e+00 9 -2.83012403e+00 -4.89971203e+00 -8.22294604e+00 10 -6.36218141e+00 8.28876657e+00 -1.44713702e+01 11 -1.92942690e+00 -7.84689202e+00 -5.03314927e-03 12 -5.78101278e+00 1.08945057e+01 1.76584798e+00 13 -1.40928840e+01 -1.23163327e+01 -3.86032105e+01 14 6.99241989e+00 1.16790911e+01 -8.64130727e+00 15 3.02632570e+01 -1.30592957e+01 1.62195601e+01 16 1.62651102e+00 2.22182786e+01 1.75475705e+01 17 -1.61418810e+01 -2.23089252e+00 -5.73057340e+00 18 1.58347484e+00 4.25906315e+00 2.13663463e+00 19 1.37563803e+01 -1.00153907e+01 1.04492599e+01 20 -5.48634883e+00 9.23914739e+00 3.89303267e+00 21 -1.12803138e+01 -9.97099066e+00 8.01851503e+00 22 2.00730216e+01 2.29261219e+01 2.27546703e+01 23 9.70757116e+00 -5.27105870e+00 5.26362630e+00 24 -8.39078337e+00 6.29691080e+00 3.76629101e+00 25 -8.58804679e+00 -6.52143865e+00 6.14567983e+00 26 1.43759993e+00 1.20868384e+01 -7.17963244e+00 27 2.19335344e+01 -3.65076645e+01 7.82346708e+00 28 -3.21540755e+01 2.72412503e+01 3.55139704e+00 29 -7.45086519e+00 2.08132718e+00 9.99799419e+00 30 5.71752038e+00 9.73752321e+00 5.72126280e+00 31 1.03391007e+01 -4.54757038e+00 6.76153366e+00 32 5.48774658e+00 1.00490313e+01 7.40461028e+00 MONOATOMIC STRUCTURE (pbc=False)-- Species = Ni (Configuration in file "config-F-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = 28.850861000403768 Forces: 1 -1.27116368e+01 -7.38567837e+00 -1.13602049e+01 2 4.72296689e+00 2.05446672e+01 -3.01769022e+01 3 8.10762578e+00 -2.98068673e+01 2.20451658e+01 4 -2.17307537e+01 9.78702460e+00 1.31513240e+01 5 4.33974581e+00 -1.39849717e+01 -1.54200891e+01 6 8.15819413e+00 1.91397875e+01 -2.01393346e+01 7 1.76441144e+01 -2.08209263e+01 -2.62475151e+00 8 1.55641643e+01 8.28975744e+00 6.58282283e+00 9 -1.38737035e+01 -6.93938436e+01 -5.84300702e+01 10 1.47523989e+01 9.87673764e+00 -1.15547642e+01 11 -3.18312157e+01 2.11627856e+01 -4.96300728e+01 12 -6.48474630e+00 6.68408239e+01 6.41788382e+01 13 -8.43475936e+00 -7.65812627e+00 -4.87264674e+00 14 9.73905355e+00 1.95280538e+01 -1.70722080e+01 15 3.13272747e+00 -1.85855019e+01 1.88652730e+01 16 -5.95771095e+00 5.68335873e+00 -3.02596294e+00 17 -1.29490149e+01 -5.84465191e+00 -7.45368807e+00 18 -2.52005904e+01 -4.81163802e+01 1.19488173e+01 19 9.56635576e+00 -3.24670202e+00 1.08463717e+01 20 -1.56763878e+01 -1.93525728e+01 1.96947803e+01 21 -3.37462265e+01 -2.39255107e+01 1.56454494e+01 22 3.20150856e+01 1.70055386e+01 -2.31796881e+01 23 7.25958213e+00 -1.58032285e+01 1.07898265e+01 24 -2.70850904e+01 8.51005845e+00 2.78839066e+01 25 -1.70224319e+01 4.95792277e+00 -2.12173226e+01 26 7.01353878e+00 8.34809894e+00 -4.06535280e-01 27 1.76890359e+01 1.31192793e+01 1.60332356e+01 28 -6.66697357e+00 8.45972744e+00 7.97324966e+00 29 6.86717690e+01 3.31147352e+01 2.65632380e+01 30 7.38524243e+00 4.72005049e+00 -3.12155046e+00 31 1.04768408e+01 3.23552551e+00 1.65413455e+00 32 -6.86719998e+00 1.60102813e+00 5.82935830e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ni (Configuration in file "config-T-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = 28.850861000403768 Forces: 1 -1.27116368e+01 -7.38567837e+00 -1.13602049e+01 2 4.72296689e+00 2.05446672e+01 -3.01769022e+01 3 8.10762578e+00 -2.98068673e+01 2.20451658e+01 4 -2.17307537e+01 9.78702460e+00 1.31513240e+01 5 4.33974581e+00 -1.39849717e+01 -1.54200891e+01 6 8.15819413e+00 1.91397875e+01 -2.01393346e+01 7 1.76441144e+01 -2.08209263e+01 -2.62475151e+00 8 1.55641643e+01 8.28975744e+00 6.58282283e+00 9 -1.38737035e+01 -6.93938436e+01 -5.84300702e+01 10 1.47523989e+01 9.87673764e+00 -1.15547642e+01 11 -3.18312157e+01 2.11627856e+01 -4.96300728e+01 12 -6.48474630e+00 6.68408239e+01 6.41788382e+01 13 -8.43475936e+00 -7.65812627e+00 -4.87264674e+00 14 9.73905355e+00 1.95280538e+01 -1.70722080e+01 15 3.13272747e+00 -1.85855019e+01 1.88652730e+01 16 -5.95771095e+00 5.68335873e+00 -3.02596294e+00 17 -1.29490149e+01 -5.84465191e+00 -7.45368807e+00 18 -2.52005904e+01 -4.81163802e+01 1.19488173e+01 19 9.56635576e+00 -3.24670202e+00 1.08463717e+01 20 -1.56763878e+01 -1.93525728e+01 1.96947803e+01 21 -3.37462265e+01 -2.39255107e+01 1.56454494e+01 22 3.20150856e+01 1.70055386e+01 -2.31796881e+01 23 7.25958213e+00 -1.58032285e+01 1.07898265e+01 24 -2.70850904e+01 8.51005845e+00 2.78839066e+01 25 -1.70224319e+01 4.95792277e+00 -2.12173226e+01 26 7.01353878e+00 8.34809894e+00 -4.06535280e-01 27 1.76890359e+01 1.31192793e+01 1.60332356e+01 28 -6.66697357e+00 8.45972744e+00 7.97324966e+00 29 6.86717690e+01 3.31147352e+01 2.65632380e+01 30 7.38524243e+00 4.72005049e+00 -3.12155046e+00 31 1.04768408e+01 3.23552551e+00 1.65413455e+00 32 -6.86719998e+00 1.60102813e+00 5.82935830e+00 MIXED STRUCTURE (pbc=False)-- Species = Fe Ni (Configuration in file "config-F-FeNi.xyz") ----------------------------------------------------------------------------------------------------- Energy = 93.47848713858971 Forces: 1 -1.42431441e+01 -9.82336469e+00 -2.92685938e+01 2 -2.30583777e+01 -2.25998624e+01 -1.15088200e+01 3 5.97050988e+01 -5.62060399e+01 -8.00528856e+00 4 -5.08538942e+01 7.44362910e+01 -3.18901793e+01 5 1.00856683e+01 -1.45587363e+01 -1.03987538e+01 6 2.35049805e+00 -7.79343043e+00 -1.19505971e+01 7 3.71547536e+01 -8.56545511e+00 -2.81365756e+01 8 -1.00134599e+01 -3.68103561e+01 -3.99029929e+01 9 -4.02134840e+01 -4.19069086e+01 -4.50839167e+01 10 2.41251998e+01 4.80875918e+01 -3.93671631e+01 11 5.36257165e+01 -3.33887137e+01 2.57541586e+01 12 -5.26431503e+01 6.00486034e+01 2.15002923e+01 13 3.49709410e+01 1.92075948e+01 -1.83530977e+01 14 4.73230729e+00 1.19820722e+01 -1.01772330e+01 15 1.10348526e+01 1.26545478e+00 1.49255075e+01 16 1.90487451e+00 8.96020943e+00 8.08576573e-01 17 -5.76163670e+01 -6.35603542e+01 4.22928454e+01 18 4.58200349e+01 4.81826712e+01 2.72687262e+01 19 3.00462457e+01 -3.07254867e+01 7.63429827e-01 20 -3.42549488e+01 2.45639508e+01 7.26062253e+00 21 -3.58773408e+01 -1.11777280e+01 3.40801052e+01 22 1.09492396e+01 1.48450766e+01 -1.05698380e+01 23 6.41879561e-02 -1.51585935e+01 1.70060601e+01 24 1.83051109e+01 -1.31245013e+01 7.45488470e+00 25 -3.14479584e+01 -2.68003194e+01 3.30174778e+01 26 1.65316557e+01 1.59550290e+01 -7.32306077e+00 27 -1.42685369e+01 6.85018370e+00 1.21946809e+00 28 -1.46424620e+01 6.10118541e+00 1.46073577e+01 29 4.36948952e+00 4.30576429e+01 4.42158621e+01 30 4.38803488e+00 1.87018893e+00 -3.55522546e-01 31 4.62804664e+00 7.38380061e-01 4.40070162e+00 32 4.34116777e+00 6.04772414e+00 5.71555660e+00 MIXED STRUCTURE (pbc=True)-- Species = Fe Ni (Configuration in file "config-T-FeNi.xyz") ----------------------------------------------------------------------------------------------------- Energy = 84.2919667262665 Forces: 1 -2.27616308e+01 -2.08280005e+01 8.45939108e-01 2 -3.03575646e+01 -2.18683949e+01 8.17609989e+00 3 5.58727198e+01 -5.02064359e+01 -8.20141752e+00 4 -4.64902211e+01 6.97110834e+01 -3.10256416e+01 5 1.07018894e+01 -7.47031491e+00 -1.33818165e+01 6 -1.23823379e+00 -8.26958298e+00 -4.08715895e+00 7 4.10142153e+01 5.44634158e+00 -3.33939048e+01 8 -1.02727940e+01 -3.77553642e+01 -4.04741618e+01 9 -1.86113588e+01 -4.59200844e+01 -4.33584748e+01 10 2.34958497e+01 3.92166291e+01 -3.58662991e+01 11 4.95298069e+01 -3.09316403e+01 2.38076439e+01 12 -3.75569369e+01 5.50730799e+01 2.78198310e+01 13 3.38355339e+01 2.06895307e+01 -1.13273658e+01 14 -1.48460519e+01 2.59862784e+01 -1.47893802e+01 15 1.02619650e+00 -7.85551629e-01 1.65271634e+01 16 -4.62085869e+00 -1.35973770e+01 1.17575353e+00 17 -4.90215068e+01 -5.96502924e+01 3.82041237e+01 18 4.36572946e+01 4.47784502e+01 2.59748693e+01 19 3.83615866e+01 -2.49796694e+01 -1.37018348e+01 20 -2.60180915e+01 4.10792831e+01 -7.46506779e+00 21 -3.56084246e+01 -2.99809547e+00 3.68166908e+01 22 3.96616560e+00 1.63931610e+01 -9.57107102e+00 23 -6.20630217e+00 -1.87826151e+01 1.58749893e+01 24 2.45870062e+01 -1.44030544e+01 -1.39341775e+01 25 -2.58928453e+01 -2.45463439e+01 3.12715487e+01 26 1.67290248e+01 1.21810840e+01 -8.30887330e+00 27 -1.51405107e+01 6.04448021e+00 -9.69276463e-01 28 -1.33589142e+01 4.12070072e+00 1.49255741e+01 29 4.69765594e+00 4.31917508e+01 4.41269481e+01 30 2.03391747e+00 -6.11361483e+00 2.96913497e+00 31 3.39986075e+00 -1.58340233e+00 -3.39150823e+00 32 5.09352252e+00 6.77798150e+00 4.73112028e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==85751== Memcheck, a memory error detector ==85751== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==85751== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==85751== Command: python runner2.py EAM_Dynamo_BonnyPasianotMalerba_2009_FeNi__MO_267721408934_005 ==85751== ==85751== Conditional jump or move depends on uninitialised value(s) ==85751== at 0x4FCBE77: __wcsnlen_avx2 (strlen-avx2.S:261) ==85751== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==85751== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==85751== by 0x547A3F: ??? (in /usr/bin/python3.6) ==85751== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==85751== by 0x5BA640: ??? (in /usr/bin/python3.6) ==85751== by 0x551B80: ??? (in /usr/bin/python3.6) ==85751== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==85751== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==85751== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==85751== by 0x509D47: ??? (in /usr/bin/python3.6) ==85751== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==85751== ==85751== Conditional jump or move depends on uninitialised value(s) ==85751== at 0x4E63408: internal_utf8_loop (loop.c:298) ==85751== by 0x4E63408: __gconv_transform_internal_utf8 (skeleton.c:609) ==85751== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==85751== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==85751== by 0x547A3F: ??? (in /usr/bin/python3.6) ==85751== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==85751== by 0x5BA640: ??? (in /usr/bin/python3.6) ==85751== by 0x551B80: ??? (in /usr/bin/python3.6) ==85751== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==85751== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==85751== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==85751== by 0x509D47: ??? (in /usr/bin/python3.6) ==85751== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==85751== ==85751== Conditional jump or move depends on uninitialised value(s) ==85751== at 0x4E63411: internal_utf8_loop (loop.c:303) ==85751== by 0x4E63411: __gconv_transform_internal_utf8 (skeleton.c:609) ==85751== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==85751== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==85751== by 0x547A3F: ??? (in /usr/bin/python3.6) ==85751== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==85751== by 0x5BA640: ??? (in /usr/bin/python3.6) ==85751== by 0x551B80: ??? (in /usr/bin/python3.6) ==85751== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==85751== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==85751== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==85751== by 0x509D47: ??? (in /usr/bin/python3.6) ==85751== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==85751== ==85751== Conditional jump or move depends on uninitialised value(s) ==85751== at 0x4E63458: internal_utf8_loop (loop.c:298) ==85751== by 0x4E63458: __gconv_transform_internal_utf8 (skeleton.c:609) ==85751== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==85751== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==85751== by 0x547A3F: ??? (in /usr/bin/python3.6) ==85751== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==85751== by 0x5BA640: ??? (in /usr/bin/python3.6) ==85751== by 0x551B80: ??? (in /usr/bin/python3.6) ==85751== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==85751== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==85751== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==85751== by 0x509D47: ??? (in /usr/bin/python3.6) ==85751== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==85751== ==85751== Conditional jump or move depends on uninitialised value(s) ==85751== at 0x4FCBCEC: __wcsnlen_avx2 (strlen-avx2.S:103) ==85751== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==85751== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==85751== by 0x547A3F: ??? (in /usr/bin/python3.6) ==85751== by 0x547D20: PyUnicode_FSConverter (in /usr/bin/python3.6) ==85751== by 0x4C51E6: ??? (in /usr/bin/python3.6) ==85751== by 0x4F8388: ??? (in /usr/bin/python3.6) ==85751== by 0x4FBD83: ??? (in /usr/bin/python3.6) ==85751== by 0x4FC914: _PyArg_ParseStack_SizeT (in /usr/bin/python3.6) ==85751== by 0x4C6C88: ??? (in /usr/bin/python3.6) ==85751== by 0x50A9D9: ??? (in /usr/bin/python3.6) ==85751== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==85751== ==85751== ==85751== HEAP SUMMARY: ==85751== in use at exit: 2,764,995 bytes in 1,647 blocks ==85751== total heap usage: 55,161 allocs, 53,514 frees, 115,635,365 bytes allocated ==85751== ==85751== LEAK SUMMARY: ==85751== definitely lost: 0 bytes in 0 blocks ==85751== indirectly lost: 0 bytes in 0 blocks ==85751== possibly lost: 146,155 bytes in 87 blocks ==85751== still reachable: 2,618,840 bytes in 1,560 blocks ==85751== suppressed: 0 bytes in 0 blocks ==85751== Rerun with --leak-check=full to see details of leaked memory ==85751== ==85751== For counts of detected and suppressed errors, rerun with: -v ==85751== Use --track-origins=yes to see where uninitialised values come from ==85751== ERROR SUMMARY: 6672 errors from 5 contexts (suppressed: 12418 from 654) ================================================================================ 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.