!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : MEAM_LAMMPS_LeeLee_2014_ZrH__MO_946208788356_000 Supported species : H Zr random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = H (Configuration in file "config-F-H.xyz") ----------------------------------------------------------------------------------------------------- Energy = 149.71447888292352 Forces: 1 -2.02158539e+01 -1.74464977e+01 7.49262024e+00 2 7.69694089e+00 -7.61246441e+00 3.76933300e+00 3 1.23968189e+01 2.25878740e+01 -3.49942538e+01 4 -3.49211010e+00 -1.97624618e+00 1.34682838e+00 5 7.68653665e+00 1.15389076e+01 -2.82943463e+00 6 3.05199240e+00 -1.14828324e+01 5.54333617e+00 7 4.02541558e+00 -1.61696463e+00 -1.37262392e+00 8 1.20292384e+01 -1.59680706e+01 1.34253109e+01 9 -7.87313011e+00 1.57006590e+01 -1.42345256e+01 10 -9.87747332e+00 8.24285088e+00 6.96257328e+00 11 2.17054477e+01 5.97984374e+00 -2.67127157e+01 12 -6.28494313e+00 1.88711315e+00 2.08569173e+00 13 4.40623553e+01 4.46110171e+01 3.67410360e+01 14 -7.49409728e+00 1.12690622e+01 -2.70601501e+01 15 -4.64305708e+01 -5.07846185e+01 4.46911982e+00 16 -3.01350661e+01 -6.95013600e+00 -3.92986081e+01 17 2.36857393e+01 2.12694006e+01 3.77972694e+01 18 -1.33654343e+01 -3.51178785e+01 -1.24043387e+01 19 -8.64561233e+00 -2.03587704e+01 5.86816749e+00 20 -1.30503441e+01 4.09062914e+00 -4.60900636e+00 21 -1.07327699e+00 -6.93256587e+00 -1.41659999e+01 22 3.60478475e+00 1.35502544e+00 7.82752667e-02 23 2.37012049e+00 -2.91316867e+00 7.49556625e-02 24 -1.28929082e+01 1.77948816e+00 1.11427124e+01 25 4.49489780e+00 -1.48826681e+00 -2.58949641e+01 26 -2.72889353e+01 -2.57358114e+01 -6.12396530e+00 27 7.29875677e+00 2.03552007e+01 -2.48912190e+00 28 1.49048721e+00 9.90901317e+00 2.13687057e+01 29 4.02511213e+01 2.39211814e+00 3.07945390e+01 30 -2.90591245e-02 2.88233992e+00 -2.56495144e+00 31 -1.32848617e+01 1.76827854e+01 -6.48908046e+00 32 2.55830233e+01 2.85096372e+00 3.22832655e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = H (Configuration in file "config-T-H.xyz") ----------------------------------------------------------------------------------------------------- Energy = 149.71447888292352 Forces: 1 -2.02158539e+01 -1.74464977e+01 7.49262024e+00 2 7.69694089e+00 -7.61246441e+00 3.76933300e+00 3 1.23968189e+01 2.25878740e+01 -3.49942538e+01 4 -3.49211010e+00 -1.97624618e+00 1.34682838e+00 5 7.68653665e+00 1.15389076e+01 -2.82943463e+00 6 3.05199240e+00 -1.14828324e+01 5.54333617e+00 7 4.02541558e+00 -1.61696463e+00 -1.37262392e+00 8 1.20292384e+01 -1.59680706e+01 1.34253109e+01 9 -7.87313011e+00 1.57006590e+01 -1.42345256e+01 10 -9.87747332e+00 8.24285088e+00 6.96257328e+00 11 2.17054477e+01 5.97984374e+00 -2.67127157e+01 12 -6.28494313e+00 1.88711315e+00 2.08569173e+00 13 4.40623553e+01 4.46110171e+01 3.67410360e+01 14 -7.49409728e+00 1.12690622e+01 -2.70601501e+01 15 -4.64305708e+01 -5.07846185e+01 4.46911982e+00 16 -3.01350661e+01 -6.95013600e+00 -3.92986081e+01 17 2.36857393e+01 2.12694006e+01 3.77972694e+01 18 -1.33654343e+01 -3.51178785e+01 -1.24043387e+01 19 -8.64561233e+00 -2.03587704e+01 5.86816749e+00 20 -1.30503441e+01 4.09062914e+00 -4.60900636e+00 21 -1.07327699e+00 -6.93256587e+00 -1.41659999e+01 22 3.60478475e+00 1.35502544e+00 7.82752667e-02 23 2.37012049e+00 -2.91316867e+00 7.49556625e-02 24 -1.28929082e+01 1.77948816e+00 1.11427124e+01 25 4.49489780e+00 -1.48826681e+00 -2.58949641e+01 26 -2.72889353e+01 -2.57358114e+01 -6.12396530e+00 27 7.29875677e+00 2.03552007e+01 -2.48912190e+00 28 1.49048721e+00 9.90901317e+00 2.13687057e+01 29 4.02511213e+01 2.39211814e+00 3.07945390e+01 30 -2.90591245e-02 2.88233992e+00 -2.56495144e+00 31 -1.32848617e+01 1.76827854e+01 -6.48908046e+00 32 2.55830233e+01 2.85096372e+00 3.22832655e+01 MONOATOMIC STRUCTURE (pbc=False)-- Species = Zr (Configuration in file "config-F-Zr.xyz") ----------------------------------------------------------------------------------------------------- Energy = 264.8349919950229 Forces: 1 -1.06460134e+01 -1.55040541e+01 -8.35867046e+00 2 7.59406242e+00 -9.21132113e+00 -2.36916476e+01 3 -1.40952753e+01 -2.06961461e+01 -8.92266770e-02 4 -2.55029089e+01 -2.13052125e+00 9.55486939e+00 5 -1.68664146e+01 -2.51282373e+01 -2.26766519e+01 6 1.61703248e+01 5.45327666e+00 -2.36759235e+01 7 2.96507568e+01 -2.33149872e+01 1.50750542e+01 8 8.24315321e+00 -6.66267008e+00 -1.84474554e+01 9 -1.59613814e+01 1.82098651e+01 -1.76565343e+01 10 -1.69318352e+00 1.37591308e+01 -1.19936214e+01 11 -2.11828890e-01 5.52274224e+00 -4.27273909e+01 12 -1.78670414e+01 1.34062538e+01 -1.11694952e+01 13 4.62988346e+00 4.34525039e+00 -3.41646991e+01 14 4.17164257e+00 8.89305852e+00 -7.21273438e+00 15 3.02081075e+01 4.23534906e+00 -4.65933400e+00 16 -2.46843447e+01 1.10682433e+01 -4.83237530e-03 17 -1.48190116e+01 -2.19281121e+01 -1.86909231e+00 18 -2.59656538e+01 -1.32013115e+01 7.03969749e+00 19 -1.05766112e+01 -1.62705792e+01 1.82477765e+01 20 -1.43139454e+01 -2.77561634e+00 1.46894339e+01 21 7.04929372e+00 -2.90300255e+01 3.12312870e+00 22 2.97743257e+01 8.16193717e+00 -4.66931913e+00 23 1.21191617e+01 -1.13559895e+01 9.95432408e+00 24 1.81384484e+00 -1.37031867e+01 3.98732948e+01 25 -2.24452191e+01 -7.77186292e+00 -1.21623353e+01 26 1.25472125e+01 5.24443729e+01 1.94573318e+01 27 3.09935924e+00 -1.42753676e+00 3.01859576e+01 28 -1.81836405e+01 2.16262976e+01 2.23612298e+01 29 1.24317683e+01 1.18281811e+01 1.25286016e+01 30 2.24200234e+01 1.81182688e+01 -2.05504095e+00 31 3.28685288e+01 3.88967086e+00 2.41515991e+01 32 -9.58975371e-01 1.91502595e+01 2.10417059e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Zr (Configuration in file "config-T-Zr.xyz") ----------------------------------------------------------------------------------------------------- Energy = 264.8349919950229 Forces: 1 -1.06460134e+01 -1.55040541e+01 -8.35867046e+00 2 7.59406242e+00 -9.21132113e+00 -2.36916476e+01 3 -1.40952753e+01 -2.06961461e+01 -8.92266770e-02 4 -2.55029089e+01 -2.13052125e+00 9.55486939e+00 5 -1.68664146e+01 -2.51282373e+01 -2.26766519e+01 6 1.61703248e+01 5.45327666e+00 -2.36759235e+01 7 2.96507568e+01 -2.33149872e+01 1.50750542e+01 8 8.24315321e+00 -6.66267008e+00 -1.84474554e+01 9 -1.59613814e+01 1.82098651e+01 -1.76565343e+01 10 -1.69318352e+00 1.37591308e+01 -1.19936214e+01 11 -2.11828890e-01 5.52274224e+00 -4.27273909e+01 12 -1.78670414e+01 1.34062538e+01 -1.11694952e+01 13 4.62988346e+00 4.34525039e+00 -3.41646991e+01 14 4.17164257e+00 8.89305852e+00 -7.21273438e+00 15 3.02081075e+01 4.23534906e+00 -4.65933400e+00 16 -2.46843447e+01 1.10682433e+01 -4.83237530e-03 17 -1.48190116e+01 -2.19281121e+01 -1.86909231e+00 18 -2.59656538e+01 -1.32013115e+01 7.03969749e+00 19 -1.05766112e+01 -1.62705792e+01 1.82477765e+01 20 -1.43139454e+01 -2.77561634e+00 1.46894339e+01 21 7.04929372e+00 -2.90300255e+01 3.12312870e+00 22 2.97743257e+01 8.16193717e+00 -4.66931913e+00 23 1.21191617e+01 -1.13559895e+01 9.95432408e+00 24 1.81384484e+00 -1.37031867e+01 3.98732948e+01 25 -2.24452191e+01 -7.77186292e+00 -1.21623353e+01 26 1.25472125e+01 5.24443729e+01 1.94573318e+01 27 3.09935924e+00 -1.42753676e+00 3.01859576e+01 28 -1.81836405e+01 2.16262976e+01 2.23612298e+01 29 1.24317683e+01 1.18281811e+01 1.25286016e+01 30 2.24200234e+01 1.81182688e+01 -2.05504095e+00 31 3.28685288e+01 3.88967086e+00 2.41515991e+01 32 -9.58975371e-01 1.91502595e+01 2.10417059e+01 MIXED STRUCTURE (pbc=False)-- Species = H Zr (Configuration in file "config-F-HZr.xyz") ----------------------------------------------------------------------------------------------------- Energy = 64.02851988306035 Forces: 1 1.66886885e-01 -1.01251025e+00 -4.89102365e-01 2 2.35652818e+00 -4.35841694e+00 -6.77872961e+00 3 -1.05075786e+01 -4.91074021e+00 -2.54373864e+00 4 5.28017518e+00 1.58880966e+01 -7.16706548e-01 5 8.97165733e+00 -1.33292928e+01 -1.68079587e+01 6 1.62082625e+00 2.61086998e+00 -4.45666733e+00 7 1.05725800e+01 -1.14992186e+01 6.45662994e+00 8 -6.50556244e+00 -1.06593735e+01 -6.34260709e+00 9 -7.85033581e+00 1.68407282e+01 -2.78603444e+01 10 -2.00325809e+01 1.52158978e+01 -3.15631573e+01 11 2.18884529e+01 -5.05921807e+01 1.50617367e+01 12 -8.68561471e-01 1.23831829e+01 9.02578835e+00 13 -6.73483655e+00 1.63224153e+01 -6.40802948e+00 14 2.41083159e+00 -4.25872589e+00 -4.17158368e+00 15 1.74821452e+01 6.01446953e+00 -7.71448069e+00 16 7.71462462e+00 -3.89233036e-01 6.91333181e+00 17 -1.62967265e+01 -1.94585097e+01 -1.00689420e+01 18 -2.49573841e+01 1.97799433e+00 -2.74683397e+01 19 1.25977326e+01 -1.39940386e+01 1.14046354e+01 20 -1.29755998e+01 1.91109186e+01 1.21881490e+01 21 -1.42800370e+01 -1.63052401e+01 1.01805659e+01 22 5.47940797e+00 2.50919956e+01 -9.11751236e-01 23 -5.88982727e+00 -8.26955370e+00 1.62026992e+01 24 2.97917950e+01 -2.57776143e+01 -1.28713438e+01 25 1.33799510e+01 -1.96276439e+01 5.20634473e+01 26 3.43108729e-01 3.20644581e+00 -2.71348802e-02 27 1.92238397e+00 1.81841583e+01 6.10404849e+00 28 -1.44246149e+01 6.64534964e+00 -2.42903217e+00 29 -1.33431999e+01 2.99651908e+01 1.33773957e+01 30 7.09381319e+00 9.46204892e+00 -4.92223251e+00 31 1.33019484e+01 -5.01922405e+00 1.06982821e+01 32 -7.70800384e+00 1.05417542e+01 4.87517233e+00 MIXED STRUCTURE (pbc=True)-- Species = H Zr (Configuration in file "config-T-HZr.xyz") ----------------------------------------------------------------------------------------------------- Energy = 111.52416648882452 Forces: 1 3.18163353e+00 1.11171110e-01 7.78364627e-01 2 1.41693327e+01 -1.64451739e+01 3.26085849e+00 3 -6.18590126e+00 -3.91343266e+00 -1.20418587e+00 4 3.31088720e+01 8.68578375e+00 -1.59643591e+01 5 1.21787753e+01 -6.64298086e+00 -3.66693764e+00 6 -3.90033278e+00 8.50080206e+00 -8.30953848e-01 7 1.06078295e+01 1.18592444e+01 3.70281649e+00 8 -6.92284098e+00 -8.79998598e+00 -4.43913087e+00 9 8.06667988e+00 1.55283004e+01 -2.17225216e+01 10 -1.72519629e+01 1.36804419e+01 -2.50394477e+01 11 2.38658551e+01 -5.18035347e+01 1.37211760e+01 12 1.10939339e+01 8.65240494e+00 -8.93971554e-01 13 -1.35813849e+01 1.19937397e+01 6.32499740e+00 14 -1.39402749e+01 -2.33352981e+01 -3.31482975e-01 15 -6.72287579e+00 -3.55299764e+00 3.49669167e-01 16 7.17072826e+00 -2.95282558e+00 8.67247639e+00 17 -9.90268306e+00 -1.66016732e+01 9.16273155e-01 18 -2.67437209e+01 -3.13049220e-01 -2.72583431e+01 19 2.94681752e+00 -1.12951124e+01 3.04192544e+00 20 -9.02388838e+00 2.20490456e+01 9.31100074e+00 21 -1.47141124e+01 -9.64639108e+00 1.07581520e+01 22 -2.04601049e+01 2.73074480e+01 5.13881114e+00 23 -1.62076426e+01 7.07097418e+00 5.82092663e-01 24 1.49578671e+01 -2.09410582e+01 -7.91089413e+00 25 1.15615234e+01 -2.40742072e+01 5.16128312e+01 26 -1.41235357e-01 -2.33264844e+00 -1.11820196e+00 27 5.41454458e+00 2.21489419e+01 -1.55076096e+01 28 -2.97739305e+00 -8.84399436e+00 -2.32218603e+01 29 -1.31913022e+01 2.75995091e+01 1.04693652e+01 30 -4.16709709e+00 -6.11515221e-01 6.81803860e+00 31 2.08275391e+01 1.23997624e+01 1.12324953e+01 32 6.88282179e+00 1.45183095e+01 2.41855626e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==31059== Memcheck, a memory error detector ==31059== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==31059== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==31059== Command: python runner2.py MEAM_LAMMPS_LeeLee_2014_ZrH__MO_946208788356_000 ==31059== ==31059== Conditional jump or move depends on uninitialised value(s) ==31059== at 0x4FCDC2C: __wcsnlen_avx2 (strlen-avx2.S:106) ==31059== by 0x4EFBCA1: wcsrtombs (wcsrtombs.c:104) ==31059== by 0x4E81C40: wcstombs (wcstombs.c:34) ==31059== by 0x5471CF: ??? (in /usr/bin/python3.6) ==31059== by 0x6330AD: _Py_stat (in /usr/bin/python3.6) ==31059== by 0x5B9C10: ??? (in /usr/bin/python3.6) ==31059== by 0x5515C0: ??? (in /usr/bin/python3.6) ==31059== by 0x5A9DAB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==31059== by 0x50A432: ??? (in /usr/bin/python3.6) ==31059== by 0x50BEB3: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==31059== by 0x5095C7: ??? (in /usr/bin/python3.6) ==31059== by 0x50A2FC: ??? (in /usr/bin/python3.6) ==31059== ==31059== Conditional jump or move depends on uninitialised value(s) ==31059== at 0x4E654E8: internal_utf8_loop (loop.c:298) ==31059== by 0x4E654E8: __gconv_transform_internal_utf8 (skeleton.c:609) ==31059== by 0x4EFBCD4: wcsrtombs (wcsrtombs.c:110) ==31059== by 0x4E81C40: wcstombs (wcstombs.c:34) ==31059== by 0x5471CF: ??? (in /usr/bin/python3.6) ==31059== by 0x6330AD: _Py_stat (in /usr/bin/python3.6) ==31059== by 0x5B9C10: ??? (in /usr/bin/python3.6) ==31059== by 0x5515C0: ??? (in /usr/bin/python3.6) ==31059== by 0x5A9DAB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==31059== by 0x50A432: ??? (in /usr/bin/python3.6) ==31059== by 0x50BEB3: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==31059== by 0x5095C7: ??? (in /usr/bin/python3.6) ==31059== by 0x50A2FC: ??? (in /usr/bin/python3.6) ==31059== ==31059== Conditional jump or move depends on uninitialised value(s) ==31059== at 0x4E654F1: internal_utf8_loop (loop.c:303) ==31059== by 0x4E654F1: __gconv_transform_internal_utf8 (skeleton.c:609) ==31059== by 0x4EFBCD4: wcsrtombs (wcsrtombs.c:110) ==31059== by 0x4E81C40: wcstombs (wcstombs.c:34) ==31059== by 0x5471CF: ??? (in /usr/bin/python3.6) ==31059== by 0x6330AD: _Py_stat (in /usr/bin/python3.6) ==31059== by 0x5B9C10: ??? (in /usr/bin/python3.6) ==31059== by 0x5515C0: ??? (in /usr/bin/python3.6) ==31059== by 0x5A9DAB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==31059== by 0x50A432: ??? (in /usr/bin/python3.6) ==31059== by 0x50BEB3: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==31059== by 0x5095C7: ??? (in /usr/bin/python3.6) ==31059== by 0x50A2FC: ??? (in /usr/bin/python3.6) ==31059== ==31059== Conditional jump or move depends on uninitialised value(s) ==31059== at 0x4E65538: internal_utf8_loop (loop.c:298) ==31059== by 0x4E65538: __gconv_transform_internal_utf8 (skeleton.c:609) ==31059== by 0x4EFBCD4: wcsrtombs (wcsrtombs.c:110) ==31059== by 0x4E81C40: wcstombs (wcstombs.c:34) ==31059== by 0x5471CF: ??? (in /usr/bin/python3.6) ==31059== by 0x6330AD: _Py_stat (in /usr/bin/python3.6) ==31059== by 0x5B9C10: ??? (in /usr/bin/python3.6) ==31059== by 0x5515C0: ??? (in /usr/bin/python3.6) ==31059== by 0x5A9DAB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==31059== by 0x50A432: ??? (in /usr/bin/python3.6) ==31059== by 0x50BEB3: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==31059== by 0x5095C7: ??? (in /usr/bin/python3.6) ==31059== by 0x50A2FC: ??? (in /usr/bin/python3.6) ==31059== ==31059== Conditional jump or move depends on uninitialised value(s) ==31059== at 0x4FCDDB7: __wcsnlen_avx2 (strlen-avx2.S:264) ==31059== by 0x4EFBCA1: wcsrtombs (wcsrtombs.c:104) ==31059== by 0x4E81C40: wcstombs (wcstombs.c:34) ==31059== by 0x5471CF: ??? (in /usr/bin/python3.6) ==31059== by 0x5474B0: PyUnicode_FSConverter (in /usr/bin/python3.6) ==31059== by 0x4C4D46: ??? (in /usr/bin/python3.6) ==31059== by 0x4F7E48: ??? (in /usr/bin/python3.6) ==31059== by 0x4FB843: ??? (in /usr/bin/python3.6) ==31059== by 0x4FC3D4: _PyArg_ParseStack_SizeT (in /usr/bin/python3.6) ==31059== by 0x4C6448: ??? (in /usr/bin/python3.6) ==31059== by 0x50A259: ??? (in /usr/bin/python3.6) ==31059== by 0x50BEB3: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==31059== ==31059== Mismatched free() / delete / delete [] ==31059== at 0x4C3323B: operator delete(void*) (in /usr/lib/valgrind/vgpreload_memcheck-amd64-linux.so) ==31059== by 0x7E57A600: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /home/worker-user1/.kim-api/2.2.1+GNU.GNU.GNU.2021-02-02-02-50-37/model-drivers-dir/MEAM_LAMMPS__MD_249792265679_000/libkim-api-model-driver.so) ==31059== by 0x7E45C83F: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /home/worker-user1/.kim-api/2.2.1+GNU.GNU.GNU.2021-02-02-02-50-37/model-drivers-dir/MEAM_LAMMPS__MD_249792265679_000/libkim-api-model-driver.so) ==31059== by 0x7E45ECF6: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /home/worker-user1/.kim-api/2.2.1+GNU.GNU.GNU.2021-02-02-02-50-37/model-drivers-dir/MEAM_LAMMPS__MD_249792265679_000/libkim-api-model-driver.so) ==31059== by 0x7E440A01: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /home/worker-user1/.kim-api/2.2.1+GNU.GNU.GNU.2021-02-02-02-50-37/model-drivers-dir/MEAM_LAMMPS__MD_249792265679_000/libkim-api-model-driver.so) ==31059== by 0x7E441E8D: ModelDriverCreateRoutine (in /home/worker-user1/.kim-api/2.2.1+GNU.GNU.GNU.2021-02-02-02-50-37/model-drivers-dir/MEAM_LAMMPS__MD_249792265679_000/libkim-api-model-driver.so) ==31059== by 0x78A59DDF: KIM::ModelImplementation::InitializeParameterizedModel(KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, KIM::Collections*) (in /usr/local/lib/libkim-api.so.2.2.1) ==31059== by 0x78A5AF90: KIM::ModelImplementation::ModelCreate(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&) (in /usr/local/lib/libkim-api.so.2.2.1) ==31059== by 0x78A5F20A: KIM::ModelImplementation::Create(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&, int*, KIM::ModelImplementation**) (in /usr/local/lib/libkim-api.so.2.2.1) ==31059== by 0x78A13960: KIM::Model::Create(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&, int*, KIM::Model**) (in /usr/local/lib/libkim-api.so.2.2.1) ==31059== by 0x78792CC7: void pybind11::cpp_function::initialize, std::allocator > const&)#15}, pybind11::tuple, KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&, pybind11::name, pybind11::scope, pybind11::sibling, pybind11::arg, pybind11::sibling, pybind11::sibling, pybind11::sibling, pybind11::sibling, pybind11::sibling, pybind11::sibling, char [45]>(pybind11_init_model(pybind11::module_&)::{lambda(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&)#15}&&, pybind11::tuple (*)(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&), pybind11::name const&, pybind11::scope const&, pybind11::sibling const&, pybind11::arg const&, pybind11::sibling const&, pybind11::sibling const&, pybind11::sibling const&, pybind11::sibling const&, pybind11::sibling const&, pybind11::sibling const&, char const (&) [45])::{lambda(pybind11::detail::function_call&)#3}::_FUN(pybind11::detail::function_call) (KIM_Model_bind.cpp:314) ==31059== by 0x787A191A: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:767) ==31059== Address 0x55a7f4f0 is 0 bytes inside a block of size 1,024 alloc'd ==31059== at 0x4C3289F: operator new[](unsigned long) (in /usr/lib/valgrind/vgpreload_memcheck-amd64-linux.so) ==31059== by 0x7E579C08: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /home/worker-user1/.kim-api/2.2.1+GNU.GNU.GNU.2021-02-02-02-50-37/model-drivers-dir/MEAM_LAMMPS__MD_249792265679_000/libkim-api-model-driver.so) ==31059== by 0x7E45C83F: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /home/worker-user1/.kim-api/2.2.1+GNU.GNU.GNU.2021-02-02-02-50-37/model-drivers-dir/MEAM_LAMMPS__MD_249792265679_000/libkim-api-model-driver.so) ==31059== by 0x7E45ECF6: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /home/worker-user1/.kim-api/2.2.1+GNU.GNU.GNU.2021-02-02-02-50-37/model-drivers-dir/MEAM_LAMMPS__MD_249792265679_000/libkim-api-model-driver.so) ==31059== by 0x7E440A01: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /home/worker-user1/.kim-api/2.2.1+GNU.GNU.GNU.2021-02-02-02-50-37/model-drivers-dir/MEAM_LAMMPS__MD_249792265679_000/libkim-api-model-driver.so) ==31059== by 0x7E441E8D: ModelDriverCreateRoutine (in /home/worker-user1/.kim-api/2.2.1+GNU.GNU.GNU.2021-02-02-02-50-37/model-drivers-dir/MEAM_LAMMPS__MD_249792265679_000/libkim-api-model-driver.so) ==31059== by 0x78A59DDF: KIM::ModelImplementation::InitializeParameterizedModel(KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, KIM::Collections*) (in /usr/local/lib/libkim-api.so.2.2.1) ==31059== by 0x78A5AF90: KIM::ModelImplementation::ModelCreate(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&) (in /usr/local/lib/libkim-api.so.2.2.1) ==31059== by 0x78A5F20A: KIM::ModelImplementation::Create(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&, int*, KIM::ModelImplementation**) (in /usr/local/lib/libkim-api.so.2.2.1) ==31059== by 0x78A13960: KIM::Model::Create(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&, int*, KIM::Model**) (in /usr/local/lib/libkim-api.so.2.2.1) ==31059== by 0x78792CC7: void pybind11::cpp_function::initialize, std::allocator > const&)#15}, pybind11::tuple, KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&, pybind11::name, pybind11::scope, pybind11::sibling, pybind11::arg, pybind11::sibling, pybind11::sibling, pybind11::sibling, pybind11::sibling, pybind11::sibling, pybind11::sibling, char [45]>(pybind11_init_model(pybind11::module_&)::{lambda(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&)#15}&&, pybind11::tuple (*)(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&), pybind11::name const&, pybind11::scope const&, pybind11::sibling const&, pybind11::arg const&, pybind11::sibling const&, pybind11::sibling const&, pybind11::sibling const&, pybind11::sibling const&, pybind11::sibling const&, pybind11::sibling const&, char const (&) [45])::{lambda(pybind11::detail::function_call&)#3}::_FUN(pybind11::detail::function_call) (KIM_Model_bind.cpp:314) ==31059== by 0x787A191A: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:767) ==31059== ==31059== Mismatched free() / delete / delete [] ==31059== at 0x4C3323B: operator delete(void*) (in /usr/lib/valgrind/vgpreload_memcheck-amd64-linux.so) ==31059== by 0x7E574848: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /home/worker-user1/.kim-api/2.2.1+GNU.GNU.GNU.2021-02-02-02-50-37/model-drivers-dir/MEAM_LAMMPS__MD_249792265679_000/libkim-api-model-driver.so) ==31059== by 0x7E45C86E: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /home/worker-user1/.kim-api/2.2.1+GNU.GNU.GNU.2021-02-02-02-50-37/model-drivers-dir/MEAM_LAMMPS__MD_249792265679_000/libkim-api-model-driver.so) ==31059== by 0x7E45ECF6: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /home/worker-user1/.kim-api/2.2.1+GNU.GNU.GNU.2021-02-02-02-50-37/model-drivers-dir/MEAM_LAMMPS__MD_249792265679_000/libkim-api-model-driver.so) ==31059== by 0x7E440A01: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /home/worker-user1/.kim-api/2.2.1+GNU.GNU.GNU.2021-02-02-02-50-37/model-drivers-dir/MEAM_LAMMPS__MD_249792265679_000/libkim-api-model-driver.so) ==31059== by 0x7E441E8D: ModelDriverCreateRoutine (in /home/worker-user1/.kim-api/2.2.1+GNU.GNU.GNU.2021-02-02-02-50-37/model-drivers-dir/MEAM_LAMMPS__MD_249792265679_000/libkim-api-model-driver.so) ==31059== by 0x78A59DDF: KIM::ModelImplementation::InitializeParameterizedModel(KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, KIM::Collections*) (in /usr/local/lib/libkim-api.so.2.2.1) ==31059== by 0x78A5AF90: KIM::ModelImplementation::ModelCreate(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&) (in /usr/local/lib/libkim-api.so.2.2.1) ==31059== by 0x78A5F20A: KIM::ModelImplementation::Create(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&, int*, KIM::ModelImplementation**) (in /usr/local/lib/libkim-api.so.2.2.1) ==31059== by 0x78A13960: KIM::Model::Create(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&, int*, KIM::Model**) (in /usr/local/lib/libkim-api.so.2.2.1) ==31059== by 0x78792CC7: void pybind11::cpp_function::initialize, std::allocator > const&)#15}, pybind11::tuple, KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&, pybind11::name, pybind11::scope, pybind11::sibling, pybind11::arg, pybind11::sibling, pybind11::sibling, pybind11::sibling, pybind11::sibling, pybind11::sibling, pybind11::sibling, char [45]>(pybind11_init_model(pybind11::module_&)::{lambda(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&)#15}&&, pybind11::tuple (*)(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&), pybind11::name const&, pybind11::scope const&, pybind11::sibling const&, pybind11::arg const&, pybind11::sibling const&, pybind11::sibling const&, pybind11::sibling const&, pybind11::sibling const&, pybind11::sibling const&, pybind11::sibling const&, char const (&) [45])::{lambda(pybind11::detail::function_call&)#3}::_FUN(pybind11::detail::function_call) (KIM_Model_bind.cpp:314) ==31059== by 0x787A191A: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:767) ==31059== Address 0x55a806e0 is 0 bytes inside a block of size 1,024 alloc'd ==31059== at 0x4C3289F: operator new[](unsigned long) (in /usr/lib/valgrind/vgpreload_memcheck-amd64-linux.so) ==31059== by 0x7E57464A: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /home/worker-user1/.kim-api/2.2.1+GNU.GNU.GNU.2021-02-02-02-50-37/model-drivers-dir/MEAM_LAMMPS__MD_249792265679_000/libkim-api-model-driver.so) ==31059== by 0x7E45C86E: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /home/worker-user1/.kim-api/2.2.1+GNU.GNU.GNU.2021-02-02-02-50-37/model-drivers-dir/MEAM_LAMMPS__MD_249792265679_000/libkim-api-model-driver.so) ==31059== by 0x7E45ECF6: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /home/worker-user1/.kim-api/2.2.1+GNU.GNU.GNU.2021-02-02-02-50-37/model-drivers-dir/MEAM_LAMMPS__MD_249792265679_000/libkim-api-model-driver.so) ==31059== by 0x7E440A01: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /home/worker-user1/.kim-api/2.2.1+GNU.GNU.GNU.2021-02-02-02-50-37/model-drivers-dir/MEAM_LAMMPS__MD_249792265679_000/libkim-api-model-driver.so) ==31059== by 0x7E441E8D: ModelDriverCreateRoutine (in /home/worker-user1/.kim-api/2.2.1+GNU.GNU.GNU.2021-02-02-02-50-37/model-drivers-dir/MEAM_LAMMPS__MD_249792265679_000/libkim-api-model-driver.so) ==31059== by 0x78A59DDF: KIM::ModelImplementation::InitializeParameterizedModel(KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, KIM::Collections*) (in /usr/local/lib/libkim-api.so.2.2.1) ==31059== by 0x78A5AF90: KIM::ModelImplementation::ModelCreate(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&) (in /usr/local/lib/libkim-api.so.2.2.1) ==31059== by 0x78A5F20A: KIM::ModelImplementation::Create(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&, int*, KIM::ModelImplementation**) (in /usr/local/lib/libkim-api.so.2.2.1) ==31059== by 0x78A13960: KIM::Model::Create(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&, int*, KIM::Model**) (in /usr/local/lib/libkim-api.so.2.2.1) ==31059== by 0x78792CC7: void pybind11::cpp_function::initialize, std::allocator > const&)#15}, pybind11::tuple, KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&, pybind11::name, pybind11::scope, pybind11::sibling, pybind11::arg, pybind11::sibling, pybind11::sibling, pybind11::sibling, pybind11::sibling, pybind11::sibling, pybind11::sibling, char [45]>(pybind11_init_model(pybind11::module_&)::{lambda(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&)#15}&&, pybind11::tuple (*)(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&), pybind11::name const&, pybind11::scope const&, pybind11::sibling const&, pybind11::arg const&, pybind11::sibling const&, pybind11::sibling const&, pybind11::sibling const&, pybind11::sibling const&, pybind11::sibling const&, pybind11::sibling const&, char const (&) [45])::{lambda(pybind11::detail::function_call&)#3}::_FUN(pybind11::detail::function_call) (KIM_Model_bind.cpp:314) ==31059== by 0x787A191A: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:767) ==31059== ==31059== ==31059== HEAP SUMMARY: ==31059== in use at exit: 2,776,687 bytes in 1,540 blocks ==31059== total heap usage: 93,405 allocs, 91,865 frees, 119,856,075 bytes allocated ==31059== ==31059== LEAK SUMMARY: ==31059== definitely lost: 0 bytes in 0 blocks ==31059== indirectly lost: 0 bytes in 0 blocks ==31059== possibly lost: 145,616 bytes in 85 blocks ==31059== still reachable: 2,631,071 bytes in 1,455 blocks ==31059== suppressed: 0 bytes in 0 blocks ==31059== Rerun with --leak-check=full to see details of leaked memory ==31059== ==31059== For counts of detected and suppressed errors, rerun with: -v ==31059== Use --track-origins=yes to see where uninitialised values come from ==31059== ERROR SUMMARY: 6692 errors from 7 contexts (suppressed: 12630 from 649) ================================================================================ 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.