!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_SharifiWick_2025_FeMnNiTiCuCrCoAl__MO_675947402254_000 Supported species : Al Co Cr Cu Fe Mn Ni Ti random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Al (Configuration in file "config-F-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 29.608464082935765 Forces: 1 -1.11304478e+00 -6.89717765e+00 -7.24015177e+00 2 -1.21978951e+01 2.05799747e+01 -1.21743353e+01 3 4.83080039e+00 -9.15308466e+00 3.61576354e-01 4 -5.99101911e+00 1.02747133e+01 4.17150044e+00 5 1.03988475e+01 -2.57132365e+01 7.57749462e-01 6 4.28938141e+00 2.67891082e+00 -8.33257012e+00 7 4.64955581e-01 -2.29452381e+01 -2.67987035e+01 8 -1.41272251e+00 -7.99922658e+00 4.77446680e+00 9 -1.00802639e+01 -1.85607510e+01 -1.29699105e+01 10 1.30343048e+01 2.00478260e+01 -1.66611189e+01 11 -1.21234959e+01 -1.07822024e+01 -3.85783247e+00 12 -1.39905139e+01 1.02409929e+01 9.93399558e+00 13 -4.55353575e+00 -3.70119781e+00 -1.86773765e+01 14 5.39887915e+00 8.41280789e+00 -4.42493771e+00 15 1.66721006e+01 -8.45147741e+00 5.61652234e-01 16 3.09613052e+00 1.96920959e+01 1.33351221e+00 17 -1.22567638e+01 -8.91212060e+00 -5.92799143e+00 18 3.86489543e+00 6.85319412e+00 -2.02290975e+00 19 5.78222414e+00 -1.05132144e+01 6.03359549e+00 20 -7.12945241e+00 8.07054780e+00 1.02711289e+01 21 -1.48115735e+01 -1.07698041e+01 6.82584370e+00 22 1.85513251e+01 2.39602154e+01 1.85890074e+01 23 4.54669763e+00 -9.26153197e-01 5.84317617e+00 24 1.71413659e+00 2.97909281e+00 6.32520968e+00 25 -1.26152114e+01 -5.60394670e+00 3.17727857e+00 26 -5.54576316e+00 2.45054302e+01 -8.32129593e+00 27 8.70340280e+00 -2.44335114e+01 1.19593291e+01 28 -2.02756810e+01 1.81988179e+01 3.39750719e+00 29 9.29985130e+00 -1.36137404e+01 8.67682641e+00 30 6.58098692e+00 1.15095479e+01 2.19383777e+00 31 7.92638423e+00 -8.69777014e+00 6.08224059e+00 32 8.94163211e+00 9.66968550e+00 1.61396999e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Al (Configuration in file "config-T-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 29.608464082935765 Forces: 1 -1.11304478e+00 -6.89717765e+00 -7.24015177e+00 2 -1.21978951e+01 2.05799747e+01 -1.21743353e+01 3 4.83080039e+00 -9.15308466e+00 3.61576354e-01 4 -5.99101911e+00 1.02747133e+01 4.17150044e+00 5 1.03988475e+01 -2.57132365e+01 7.57749462e-01 6 4.28938141e+00 2.67891082e+00 -8.33257012e+00 7 4.64955581e-01 -2.29452381e+01 -2.67987035e+01 8 -1.41272251e+00 -7.99922658e+00 4.77446680e+00 9 -1.00802639e+01 -1.85607510e+01 -1.29699105e+01 10 1.30343048e+01 2.00478260e+01 -1.66611189e+01 11 -1.21234959e+01 -1.07822024e+01 -3.85783247e+00 12 -1.39905139e+01 1.02409929e+01 9.93399558e+00 13 -4.55353575e+00 -3.70119781e+00 -1.86773765e+01 14 5.39887915e+00 8.41280789e+00 -4.42493771e+00 15 1.66721006e+01 -8.45147741e+00 5.61652234e-01 16 3.09613052e+00 1.96920959e+01 1.33351221e+00 17 -1.22567638e+01 -8.91212060e+00 -5.92799143e+00 18 3.86489543e+00 6.85319412e+00 -2.02290975e+00 19 5.78222414e+00 -1.05132144e+01 6.03359549e+00 20 -7.12945241e+00 8.07054780e+00 1.02711289e+01 21 -1.48115735e+01 -1.07698041e+01 6.82584370e+00 22 1.85513251e+01 2.39602154e+01 1.85890074e+01 23 4.54669763e+00 -9.26153197e-01 5.84317617e+00 24 1.71413659e+00 2.97909281e+00 6.32520968e+00 25 -1.26152114e+01 -5.60394670e+00 3.17727857e+00 26 -5.54576316e+00 2.45054302e+01 -8.32129593e+00 27 8.70340280e+00 -2.44335114e+01 1.19593291e+01 28 -2.02756810e+01 1.81988179e+01 3.39750719e+00 29 9.29985130e+00 -1.36137404e+01 8.67682641e+00 30 6.58098692e+00 1.15095479e+01 2.19383777e+00 31 7.92638423e+00 -8.69777014e+00 6.08224059e+00 32 8.94163211e+00 9.66968550e+00 1.61396999e+01 MONOATOMIC STRUCTURE (pbc=False)-- Species = Co (Configuration in file "config-F-Co.xyz") ----------------------------------------------------------------------------------------------------- Energy = -31.931197702566685 Forces: 1 -3.58683116e+00 -4.94573382e+00 -5.27732833e+00 2 4.99017458e+00 -5.66941789e+00 -7.34140898e+00 3 7.11400002e+00 -1.78714321e+01 -6.26273214e+00 4 -1.38868612e+01 6.27720268e+00 -6.26512113e+00 5 -2.33928170e+01 -1.04558442e+01 -1.81752626e+01 6 1.18478018e+01 8.91030172e+00 -8.07662080e+00 7 2.00125723e+01 -7.84693737e+00 2.11310753e+01 8 1.26803867e+01 1.49690511e+01 -3.22687447e+01 9 -1.09430100e+01 5.51371089e+00 -7.47000895e+00 10 2.48381155e+01 2.53351892e+00 -1.86702344e+01 11 1.00820817e+01 1.08475093e+01 -6.29067980e+00 12 -2.42994872e+01 -1.79890200e-01 1.94117823e+01 13 -1.25318935e+00 4.79668523e+00 -4.31220378e+00 14 2.42215503e+00 3.95747876e+00 -4.81647038e+00 15 1.79662242e+01 -1.05915038e+01 -5.13109543e+00 16 -1.15230463e+01 1.77807222e+01 -3.88295993e+00 17 -8.01437582e+00 -7.53521566e+00 1.01781875e+01 18 -1.48357516e+01 4.15236150e+00 1.99146266e+01 19 -1.42164125e+00 -1.46077545e+00 9.74200990e-01 20 -2.77679019e+00 -2.32214480e+00 4.17199331e+00 21 6.33705726e+00 -2.93219655e+01 2.28829916e+01 22 9.09356076e+00 -1.49033046e+00 -5.02559851e+00 23 5.36152095e+00 -1.03481782e+01 4.28178986e+00 24 -7.20628251e+00 4.11751209e+00 5.80842699e+00 25 -1.27193236e+01 6.87321088e+00 4.82331964e+00 26 7.59395687e-01 4.80114402e+00 -2.47346639e+00 27 1.27340112e+01 -5.76384015e+00 8.47065704e+00 28 -1.11559927e+01 7.65445341e+00 1.18077501e+00 29 -4.11472477e+00 5.00831695e+00 1.06141517e+01 30 6.47545146e+00 3.97203274e+00 -2.31560410e+00 31 7.45934836e+00 -2.81683957e+00 5.05871557e+00 32 -9.04373268e+00 6.45483676e+00 5.15284698e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Co (Configuration in file "config-T-Co.xyz") ----------------------------------------------------------------------------------------------------- Energy = -31.931197702566685 Forces: 1 -3.58683116e+00 -4.94573382e+00 -5.27732833e+00 2 4.99017458e+00 -5.66941789e+00 -7.34140898e+00 3 7.11400002e+00 -1.78714321e+01 -6.26273214e+00 4 -1.38868612e+01 6.27720268e+00 -6.26512113e+00 5 -2.33928170e+01 -1.04558442e+01 -1.81752626e+01 6 1.18478018e+01 8.91030172e+00 -8.07662080e+00 7 2.00125723e+01 -7.84693737e+00 2.11310753e+01 8 1.26803867e+01 1.49690511e+01 -3.22687447e+01 9 -1.09430100e+01 5.51371089e+00 -7.47000895e+00 10 2.48381155e+01 2.53351892e+00 -1.86702344e+01 11 1.00820817e+01 1.08475093e+01 -6.29067980e+00 12 -2.42994872e+01 -1.79890200e-01 1.94117823e+01 13 -1.25318935e+00 4.79668523e+00 -4.31220378e+00 14 2.42215503e+00 3.95747876e+00 -4.81647038e+00 15 1.79662242e+01 -1.05915038e+01 -5.13109543e+00 16 -1.15230463e+01 1.77807222e+01 -3.88295993e+00 17 -8.01437582e+00 -7.53521566e+00 1.01781875e+01 18 -1.48357516e+01 4.15236150e+00 1.99146266e+01 19 -1.42164125e+00 -1.46077545e+00 9.74200990e-01 20 -2.77679019e+00 -2.32214480e+00 4.17199331e+00 21 6.33705726e+00 -2.93219655e+01 2.28829916e+01 22 9.09356076e+00 -1.49033046e+00 -5.02559851e+00 23 5.36152095e+00 -1.03481782e+01 4.28178986e+00 24 -7.20628251e+00 4.11751209e+00 5.80842699e+00 25 -1.27193236e+01 6.87321088e+00 4.82331964e+00 26 7.59395687e-01 4.80114402e+00 -2.47346639e+00 27 1.27340112e+01 -5.76384015e+00 8.47065704e+00 28 -1.11559927e+01 7.65445341e+00 1.18077501e+00 29 -4.11472477e+00 5.00831695e+00 1.06141517e+01 30 6.47545146e+00 3.97203274e+00 -2.31560410e+00 31 7.45934836e+00 -2.81683957e+00 5.05871557e+00 32 -9.04373268e+00 6.45483676e+00 5.15284698e+00 MONOATOMIC STRUCTURE (pbc=False)-- Species = Cr (Configuration in file "config-F-Cr.xyz") ----------------------------------------------------------------------------------------------------- Energy = -30.807281932302015 Forces: 1 -4.86666320e-02 -1.73238271e+00 -1.88644394e+00 2 -2.68583213e+00 -3.04585959e-01 -5.18871792e+00 3 -9.05801160e+00 -5.28488004e+00 -3.64779489e+00 4 -4.16643120e+00 -8.85036490e+00 4.05061087e+00 5 -7.27467277e+00 -6.99812266e+00 -8.24375818e+00 6 5.50822332e+00 4.22696503e+00 -1.20017849e+01 7 1.13696077e+01 -9.81125375e+00 6.15241246e+00 8 -2.61743439e+00 -4.41063136e+00 1.64554505e-01 9 -2.93222470e+00 5.25828069e+00 -8.42306107e+00 10 -2.89993061e-01 1.68873070e+00 -3.60938208e+00 11 2.96210919e-01 -1.72113523e+00 -7.73589764e+00 12 -6.88767791e+00 6.79514479e+00 -2.14495452e+00 13 -3.59749913e+00 8.94776283e-01 -7.83156285e+00 14 5.90269108e+00 6.69098909e+00 -2.73153214e+00 15 1.03265797e+01 2.20561791e+00 2.34121324e+00 16 -3.26538921e+00 8.05612821e+00 -2.01979842e+00 17 -4.43564048e+00 -2.02234499e+00 -1.12606712e-01 18 -4.29620306e+00 -5.16250908e+00 3.54892218e+00 19 -1.91858750e+00 -2.95917362e+00 1.84388436e+00 20 -1.09308772e+00 1.85452222e-01 1.72748574e+00 21 4.32312876e+00 -5.52647912e+00 5.44541543e+00 22 6.99961285e+00 3.83490715e+00 -3.26492958e+00 23 4.11998096e+00 -6.59476894e+00 4.90964070e+00 24 -1.60117781e+00 3.49044640e+00 5.27528875e+00 25 -8.52197121e+00 8.23657057e-01 5.60393315e+00 26 2.13819564e+00 1.23370733e+01 -4.86778619e-01 27 -7.94996215e-01 -7.15563506e+00 1.08059812e+01 28 -3.92655947e+00 1.14026749e+00 8.05313684e-01 29 6.42875356e+00 4.27723447e+00 7.65585213e+00 30 6.24559214e+00 6.13668698e+00 1.83321977e-02 31 5.12598842e+00 -4.03753330e+00 6.92765776e+00 32 6.27491163e-01 4.52944296e+00 2.05250516e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Cr (Configuration in file "config-T-Cr.xyz") ----------------------------------------------------------------------------------------------------- Energy = -30.807281932302015 Forces: 1 -4.86666320e-02 -1.73238271e+00 -1.88644394e+00 2 -2.68583213e+00 -3.04585959e-01 -5.18871792e+00 3 -9.05801160e+00 -5.28488004e+00 -3.64779489e+00 4 -4.16643120e+00 -8.85036490e+00 4.05061087e+00 5 -7.27467277e+00 -6.99812266e+00 -8.24375818e+00 6 5.50822332e+00 4.22696503e+00 -1.20017849e+01 7 1.13696077e+01 -9.81125375e+00 6.15241246e+00 8 -2.61743439e+00 -4.41063136e+00 1.64554505e-01 9 -2.93222470e+00 5.25828069e+00 -8.42306107e+00 10 -2.89993061e-01 1.68873070e+00 -3.60938208e+00 11 2.96210919e-01 -1.72113523e+00 -7.73589764e+00 12 -6.88767791e+00 6.79514479e+00 -2.14495452e+00 13 -3.59749913e+00 8.94776283e-01 -7.83156285e+00 14 5.90269108e+00 6.69098909e+00 -2.73153214e+00 15 1.03265797e+01 2.20561791e+00 2.34121324e+00 16 -3.26538921e+00 8.05612821e+00 -2.01979842e+00 17 -4.43564048e+00 -2.02234499e+00 -1.12606712e-01 18 -4.29620306e+00 -5.16250908e+00 3.54892218e+00 19 -1.91858750e+00 -2.95917362e+00 1.84388436e+00 20 -1.09308772e+00 1.85452222e-01 1.72748574e+00 21 4.32312876e+00 -5.52647912e+00 5.44541543e+00 22 6.99961285e+00 3.83490715e+00 -3.26492958e+00 23 4.11998096e+00 -6.59476894e+00 4.90964070e+00 24 -1.60117781e+00 3.49044640e+00 5.27528875e+00 25 -8.52197121e+00 8.23657057e-01 5.60393315e+00 26 2.13819564e+00 1.23370733e+01 -4.86778619e-01 27 -7.94996215e-01 -7.15563506e+00 1.08059812e+01 28 -3.92655947e+00 1.14026749e+00 8.05313684e-01 29 6.42875356e+00 4.27723447e+00 7.65585213e+00 30 6.24559214e+00 6.13668698e+00 1.83321977e-02 31 5.12598842e+00 -4.03753330e+00 6.92765776e+00 32 6.27491163e-01 4.52944296e+00 2.05250516e+00 MONOATOMIC STRUCTURE (pbc=False)-- Species = Cu (Configuration in file "config-F-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 33.29289421964293 Forces: 1 -1.03434111e+01 -1.01244308e+01 -8.64671427e+00 2 9.27436375e+00 8.18043444e+00 -1.73520513e+01 3 1.09252086e+01 -1.45335783e+01 7.14946606e+00 4 -1.38829629e+01 1.10109473e+01 1.26960013e+01 5 1.67019388e+00 -6.72400821e+00 -6.99857427e+00 6 3.15287373e+00 7.11736386e-01 -5.89088131e+00 7 8.67514276e+00 -1.38934786e+01 -9.17276851e+00 8 1.93564328e+00 6.83957214e+00 4.18401026e+00 9 -6.89595353e+00 4.27096655e+00 -8.28860563e+00 10 -1.22785072e+01 2.10746389e+01 -3.64791706e+01 11 -1.24051221e+01 -3.07145161e+01 1.76060664e+01 12 -1.02382630e+01 8.05196567e+00 -1.73545637e+00 13 7.06878171e+00 -1.47089849e+01 -1.29763029e+01 14 7.89604110e+00 9.33942804e+00 -6.72000737e+00 15 7.80122532e+00 -5.42436784e+00 1.14456868e+01 16 1.55467148e+01 2.66862417e+01 1.17298035e+01 17 -1.01346010e+01 -6.55840312e+00 7.10058675e+00 18 -3.42516588e+00 -6.90495710e+00 -1.77608400e+01 19 -1.43307426e+01 -2.32938378e+01 7.25615956e+00 20 -1.84623510e+01 -1.01960582e+01 7.79144196e+00 21 -7.99509846e+00 -1.75247637e+01 -7.27433486e+00 22 1.48739417e+01 2.00841444e+01 6.01648355e+00 23 3.81200628e+00 -2.63363051e+00 3.89028418e+00 24 1.65290340e+01 1.77285156e+01 1.87208390e+01 25 -1.50625070e+01 -5.59384470e+00 -1.11469579e+01 26 -1.54220143e+01 2.88823046e+01 -3.66038785e+00 27 8.93828665e+00 7.52607909e+00 2.01757662e+01 28 -7.05862191e+00 1.23977071e+01 8.33749165e+00 29 3.04813132e+01 -2.28108053e+01 -1.53066870e+00 30 3.78068162e+00 2.67003231e+00 -1.15397222e+00 31 1.06203397e+00 -2.46659010e+00 2.79854067e+00 32 4.51183575e+00 8.65154091e+00 9.88906621e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Cu (Configuration in file "config-T-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 33.29289421964293 Forces: 1 -1.03434111e+01 -1.01244308e+01 -8.64671427e+00 2 9.27436375e+00 8.18043444e+00 -1.73520513e+01 3 1.09252086e+01 -1.45335783e+01 7.14946606e+00 4 -1.38829629e+01 1.10109473e+01 1.26960013e+01 5 1.67019388e+00 -6.72400821e+00 -6.99857427e+00 6 3.15287373e+00 7.11736386e-01 -5.89088131e+00 7 8.67514276e+00 -1.38934786e+01 -9.17276851e+00 8 1.93564328e+00 6.83957214e+00 4.18401026e+00 9 -6.89595353e+00 4.27096655e+00 -8.28860563e+00 10 -1.22785072e+01 2.10746389e+01 -3.64791706e+01 11 -1.24051221e+01 -3.07145161e+01 1.76060664e+01 12 -1.02382630e+01 8.05196567e+00 -1.73545637e+00 13 7.06878171e+00 -1.47089849e+01 -1.29763029e+01 14 7.89604110e+00 9.33942804e+00 -6.72000737e+00 15 7.80122532e+00 -5.42436784e+00 1.14456868e+01 16 1.55467148e+01 2.66862417e+01 1.17298035e+01 17 -1.01346010e+01 -6.55840312e+00 7.10058675e+00 18 -3.42516588e+00 -6.90495710e+00 -1.77608400e+01 19 -1.43307426e+01 -2.32938378e+01 7.25615956e+00 20 -1.84623510e+01 -1.01960582e+01 7.79144196e+00 21 -7.99509846e+00 -1.75247637e+01 -7.27433486e+00 22 1.48739417e+01 2.00841444e+01 6.01648355e+00 23 3.81200628e+00 -2.63363051e+00 3.89028418e+00 24 1.65290340e+01 1.77285156e+01 1.87208390e+01 25 -1.50625070e+01 -5.59384470e+00 -1.11469579e+01 26 -1.54220143e+01 2.88823046e+01 -3.66038785e+00 27 8.93828665e+00 7.52607909e+00 2.01757662e+01 28 -7.05862191e+00 1.23977071e+01 8.33749165e+00 29 3.04813132e+01 -2.28108053e+01 -1.53066870e+00 30 3.78068162e+00 2.67003231e+00 -1.15397222e+00 31 1.06203397e+00 -2.46659010e+00 2.79854067e+00 32 4.51183575e+00 8.65154091e+00 9.88906621e+00 MONOATOMIC STRUCTURE (pbc=False)-- Species = Fe (Configuration in file "config-F-Fe.xyz") ----------------------------------------------------------------------------------------------------- Energy = -1.2190987768821606 Forces: 1 -9.23199936e+00 -6.46030312e+00 -8.32319785e+00 2 -6.12669243e+00 1.10913700e+01 -1.16776519e+01 3 6.48328772e+00 -1.27430945e+01 7.73934820e+00 4 -1.53658841e+01 -2.37177923e+00 -3.99873165e+00 5 4.21531307e+00 -8.72881195e+00 -3.81522063e+00 6 4.30352875e+00 6.64224439e+00 -8.68024454e+00 7 2.44892014e+00 -8.95381951e+00 6.58057229e+00 8 8.09638933e+00 -6.49980430e+00 -6.67514179e+00 9 -2.43188715e+01 -6.51901297e+00 -2.21087529e+01 10 9.67188878e+00 9.45150497e+00 -6.05237489e+00 11 1.85860323e+01 8.15139531e+00 1.85917753e+01 12 -5.75073361e+00 5.63802441e+00 7.46904436e+00 13 -4.69168431e+00 -3.86262420e+00 -1.23105513e+01 14 7.40429881e+00 5.85145343e+00 -7.12084655e+00 15 1.66307154e+01 -3.86181427e+00 -7.53495458e-01 16 -5.14468699e+00 1.17422770e+01 3.90261999e-01 17 -1.01361881e+01 -1.52545171e+01 -8.77840819e+00 18 1.07922189e+01 3.92132792e+00 2.96495997e+00 19 3.08211173e+00 -8.18619776e+00 4.86899797e+00 20 -8.12760722e+00 1.10459626e+01 2.01847770e+01 21 -6.82334750e+00 -8.48558286e+00 -1.82828331e+00 22 1.16680344e+01 -1.82426095e+00 2.61554478e+00 23 5.61399537e+00 -4.04901851e+00 5.40952644e+00 24 9.23911172e-01 4.31515882e+00 3.81917939e+00 25 -3.80164475e+00 5.32984368e+00 -9.72135388e-01 26 -3.51024395e+00 2.54032438e+00 2.26866133e+00 27 -1.54418996e+00 -4.44932223e+00 1.44503511e+00 28 -3.36255620e+00 4.42635937e+00 1.27743924e+00 29 -1.02854263e+01 5.37829958e+00 1.14732066e+01 30 6.17160849e+00 6.22508783e+00 -6.08602836e+00 31 8.50245245e+00 -6.74896020e+00 3.95330716e+00 32 -6.37295042e+00 7.24828989e+00 8.12942747e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Fe (Configuration in file "config-T-Fe.xyz") ----------------------------------------------------------------------------------------------------- Energy = -1.2190987768821606 Forces: 1 -9.23199936e+00 -6.46030312e+00 -8.32319785e+00 2 -6.12669243e+00 1.10913700e+01 -1.16776519e+01 3 6.48328772e+00 -1.27430945e+01 7.73934820e+00 4 -1.53658841e+01 -2.37177923e+00 -3.99873165e+00 5 4.21531307e+00 -8.72881195e+00 -3.81522063e+00 6 4.30352875e+00 6.64224439e+00 -8.68024454e+00 7 2.44892014e+00 -8.95381951e+00 6.58057229e+00 8 8.09638933e+00 -6.49980430e+00 -6.67514179e+00 9 -2.43188715e+01 -6.51901297e+00 -2.21087529e+01 10 9.67188878e+00 9.45150497e+00 -6.05237489e+00 11 1.85860323e+01 8.15139531e+00 1.85917753e+01 12 -5.75073361e+00 5.63802441e+00 7.46904436e+00 13 -4.69168431e+00 -3.86262420e+00 -1.23105513e+01 14 7.40429881e+00 5.85145343e+00 -7.12084655e+00 15 1.66307154e+01 -3.86181427e+00 -7.53495458e-01 16 -5.14468699e+00 1.17422770e+01 3.90261999e-01 17 -1.01361881e+01 -1.52545171e+01 -8.77840819e+00 18 1.07922189e+01 3.92132792e+00 2.96495997e+00 19 3.08211173e+00 -8.18619776e+00 4.86899797e+00 20 -8.12760722e+00 1.10459626e+01 2.01847770e+01 21 -6.82334750e+00 -8.48558286e+00 -1.82828331e+00 22 1.16680344e+01 -1.82426095e+00 2.61554478e+00 23 5.61399537e+00 -4.04901851e+00 5.40952644e+00 24 9.23911172e-01 4.31515882e+00 3.81917939e+00 25 -3.80164475e+00 5.32984368e+00 -9.72135388e-01 26 -3.51024395e+00 2.54032438e+00 2.26866133e+00 27 -1.54418996e+00 -4.44932223e+00 1.44503511e+00 28 -3.36255620e+00 4.42635937e+00 1.27743924e+00 29 -1.02854263e+01 5.37829958e+00 1.14732066e+01 30 6.17160849e+00 6.22508783e+00 -6.08602836e+00 31 8.50245245e+00 -6.74896020e+00 3.95330716e+00 32 -6.37295042e+00 7.24828989e+00 8.12942747e+00 MONOATOMIC STRUCTURE (pbc=False)-- Species = Mn (Configuration in file "config-F-Mn.xyz") ----------------------------------------------------------------------------------------------------- Energy = 152.31319283717656 Forces: 1 -2.38120015e+00 -9.18929420e-01 -2.24632003e+00 2 1.29909627e+01 -1.11628261e+01 -6.55065813e+00 3 -3.34636615e+01 -1.20285436e+01 1.81365039e+01 4 -6.69302061e+00 -3.41131732e+01 -4.44613561e+00 5 3.97794565e+00 -1.50734644e+01 -5.90067643e+01 6 5.47371465e+01 -5.88827569e+01 -4.37738121e+01 7 6.65225385e+01 -1.85209143e+01 -2.68689837e+00 8 -3.78442128e+01 1.36888816e+01 -1.40935583e+01 9 -1.93619774e+01 1.70334949e+01 -1.41511361e+01 10 -1.08503808e+01 3.67104748e+00 -2.28156565e+01 11 2.84957084e+01 -3.73400160e+01 -2.61049808e+01 12 -2.09908423e+01 2.32560381e+01 -9.84834170e+00 13 -6.17390835e+01 3.43791567e+01 1.10002918e+01 14 3.81497688e+01 4.45936871e+01 -2.53974764e+01 15 2.50811535e+01 3.07999913e-01 1.05343650e+01 16 5.26763845e+00 3.31726992e+01 2.20078093e+01 17 -2.34001056e+01 -8.32157109e+00 -2.89397801e+01 18 -4.24376057e+01 -6.20931929e+00 -1.50968271e+01 19 3.44803713e+01 -3.10846641e+01 2.24891311e+01 20 -1.93236495e+01 3.05806054e+01 1.43436484e+01 21 -2.47018030e+01 -4.12904036e+01 1.99308752e+01 22 7.20869359e+01 -1.10024963e+01 -6.10519063e-01 23 1.70085565e+01 -1.01908807e+01 1.93766136e+01 24 -1.06545125e+01 -2.48040619e+01 7.53475175e+01 25 -5.15860210e+01 -9.41755411e+00 1.93932062e+01 26 2.26342923e+01 6.60439675e+01 -3.54186459e+01 27 1.44892215e+01 -5.44314650e+01 4.57962610e+01 28 -5.27323740e+01 3.06495544e+01 3.33776785e+01 29 -2.01228942e+01 4.44800022e+01 -2.38087349e+01 30 3.67198888e+01 1.99325377e+01 -2.73838239e+01 31 7.98336358e+00 -7.33040409e+00 1.54960924e+01 32 -2.34214799e+00 3.03337720e+01 3.51500755e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Mn (Configuration in file "config-T-Mn.xyz") ----------------------------------------------------------------------------------------------------- Energy = 152.31319283717656 Forces: 1 -2.38120015e+00 -9.18929420e-01 -2.24632003e+00 2 1.29909627e+01 -1.11628261e+01 -6.55065813e+00 3 -3.34636615e+01 -1.20285436e+01 1.81365039e+01 4 -6.69302061e+00 -3.41131732e+01 -4.44613561e+00 5 3.97794565e+00 -1.50734644e+01 -5.90067643e+01 6 5.47371465e+01 -5.88827569e+01 -4.37738121e+01 7 6.65225385e+01 -1.85209143e+01 -2.68689837e+00 8 -3.78442128e+01 1.36888816e+01 -1.40935583e+01 9 -1.93619774e+01 1.70334949e+01 -1.41511361e+01 10 -1.08503808e+01 3.67104748e+00 -2.28156565e+01 11 2.84957084e+01 -3.73400160e+01 -2.61049808e+01 12 -2.09908423e+01 2.32560381e+01 -9.84834170e+00 13 -6.17390835e+01 3.43791567e+01 1.10002918e+01 14 3.81497688e+01 4.45936871e+01 -2.53974764e+01 15 2.50811535e+01 3.07999913e-01 1.05343650e+01 16 5.26763845e+00 3.31726992e+01 2.20078093e+01 17 -2.34001056e+01 -8.32157109e+00 -2.89397801e+01 18 -4.24376057e+01 -6.20931929e+00 -1.50968271e+01 19 3.44803713e+01 -3.10846641e+01 2.24891311e+01 20 -1.93236495e+01 3.05806054e+01 1.43436484e+01 21 -2.47018030e+01 -4.12904036e+01 1.99308752e+01 22 7.20869359e+01 -1.10024963e+01 -6.10519063e-01 23 1.70085565e+01 -1.01908807e+01 1.93766136e+01 24 -1.06545125e+01 -2.48040619e+01 7.53475175e+01 25 -5.15860210e+01 -9.41755411e+00 1.93932062e+01 26 2.26342923e+01 6.60439675e+01 -3.54186459e+01 27 1.44892215e+01 -5.44314650e+01 4.57962610e+01 28 -5.27323740e+01 3.06495544e+01 3.33776785e+01 29 -2.01228942e+01 4.44800022e+01 -2.38087349e+01 30 3.67198888e+01 1.99325377e+01 -2.73838239e+01 31 7.98336358e+00 -7.33040409e+00 1.54960924e+01 32 -2.34214799e+00 3.03337720e+01 3.51500755e+01 MONOATOMIC STRUCTURE (pbc=False)-- Species = Ni (Configuration in file "config-F-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = 22.052436540266786 Forces: 1 -2.13373895e+00 -2.77514145e+00 -4.18267056e+00 2 -5.82011485e+00 8.11201089e+00 -9.21933610e-01 3 -1.08672536e+01 -1.22482885e+01 -1.17614206e+01 4 -1.17253130e+01 2.99311134e+01 -4.61544747e+01 5 9.56339887e+00 -1.22961287e+01 -4.02916018e+00 6 2.61764825e+01 -1.80483712e+01 -1.56810375e+01 7 7.29306516e+00 -9.95030264e+00 3.17673620e+00 8 -5.02309575e+00 2.78152762e+01 -1.03120682e+01 9 -4.95835933e+00 2.81386401e+00 -5.33818306e-01 10 -4.09386930e+01 7.52534817e+00 -3.35736544e+01 11 9.38450503e+00 1.40600223e+01 -1.64394294e+01 12 -9.31850881e+00 3.33043330e+00 -9.08316598e+00 13 -2.08989218e+01 8.73888587e-01 -2.24109425e+01 14 1.43731200e+01 2.02261830e+01 -1.84767887e+01 15 1.95436272e+01 -1.20336683e+01 1.98972282e+01 16 1.50703079e+01 1.42205015e+01 4.03468479e+01 17 -2.32521826e+01 -4.38104929e+01 3.53860000e+01 18 2.00178859e+01 9.09237680e+00 8.33597557e+00 19 1.64050335e+01 -2.14778840e+01 1.63914729e+01 20 -1.70754030e+01 1.29058683e+01 1.13334650e+01 21 1.24722366e+01 -2.36665603e+01 2.93822626e+01 22 4.77340385e+01 -1.85286487e+00 -5.83945189e+01 23 6.90936469e+00 -1.90615564e+01 1.33814846e+01 24 -5.01747210e+01 -9.52226345e+00 3.90965465e+01 25 -1.74821836e+01 -1.15463678e+01 -5.68153088e+00 26 2.49062507e+01 1.20021664e+01 -8.13266206e+00 27 -1.28087260e+01 -1.51382675e+00 5.33521666e+00 28 -1.47846750e+01 1.00957219e+01 2.91396286e+01 29 -4.91294088e+01 -4.82410650e+01 -2.43895922e+01 30 5.50740278e+01 5.08763091e+01 1.83461233e+00 31 2.07540492e+01 6.89339868e+00 1.86691263e+01 32 -9.28609462e+00 1.72702996e+01 1.84522654e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ni (Configuration in file "config-T-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = 22.052436540266786 Forces: 1 -2.13373895e+00 -2.77514145e+00 -4.18267056e+00 2 -5.82011485e+00 8.11201089e+00 -9.21933610e-01 3 -1.08672536e+01 -1.22482885e+01 -1.17614206e+01 4 -1.17253130e+01 2.99311134e+01 -4.61544747e+01 5 9.56339887e+00 -1.22961287e+01 -4.02916018e+00 6 2.61764825e+01 -1.80483712e+01 -1.56810375e+01 7 7.29306516e+00 -9.95030264e+00 3.17673620e+00 8 -5.02309575e+00 2.78152762e+01 -1.03120682e+01 9 -4.95835933e+00 2.81386401e+00 -5.33818306e-01 10 -4.09386930e+01 7.52534817e+00 -3.35736544e+01 11 9.38450503e+00 1.40600223e+01 -1.64394294e+01 12 -9.31850881e+00 3.33043330e+00 -9.08316598e+00 13 -2.08989218e+01 8.73888587e-01 -2.24109425e+01 14 1.43731200e+01 2.02261830e+01 -1.84767887e+01 15 1.95436272e+01 -1.20336683e+01 1.98972282e+01 16 1.50703079e+01 1.42205015e+01 4.03468479e+01 17 -2.32521826e+01 -4.38104929e+01 3.53860000e+01 18 2.00178859e+01 9.09237680e+00 8.33597557e+00 19 1.64050335e+01 -2.14778840e+01 1.63914729e+01 20 -1.70754030e+01 1.29058683e+01 1.13334650e+01 21 1.24722366e+01 -2.36665603e+01 2.93822626e+01 22 4.77340385e+01 -1.85286487e+00 -5.83945189e+01 23 6.90936469e+00 -1.90615564e+01 1.33814846e+01 24 -5.01747210e+01 -9.52226345e+00 3.90965465e+01 25 -1.74821836e+01 -1.15463678e+01 -5.68153088e+00 26 2.49062507e+01 1.20021664e+01 -8.13266206e+00 27 -1.28087260e+01 -1.51382675e+00 5.33521666e+00 28 -1.47846750e+01 1.00957219e+01 2.91396286e+01 29 -4.91294088e+01 -4.82410650e+01 -2.43895922e+01 30 5.50740278e+01 5.08763091e+01 1.83461233e+00 31 2.07540492e+01 6.89339868e+00 1.86691263e+01 32 -9.28609462e+00 1.72702996e+01 1.84522654e+01 MONOATOMIC STRUCTURE (pbc=False)-- Species = Ti (Configuration in file "config-F-Ti.xyz") ----------------------------------------------------------------------------------------------------- Energy = 77.90933727862603 Forces: 1 -7.69693072e+00 -9.74167323e+00 -1.11086039e+01 2 -5.00767627e-01 1.88287176e-02 -1.64526592e+01 3 5.10397674e+00 -1.39740447e+01 7.07568757e+00 4 -1.49995037e+01 4.90873679e+00 1.06968098e+00 5 -1.02388690e+01 -1.23516997e+01 -1.25663373e+01 6 1.53389845e+01 1.27397344e+01 -2.76033766e+01 7 1.95154507e+01 -2.05058518e+01 1.46112733e+01 8 -6.13808362e+00 7.91045513e-01 8.46065699e+00 9 -1.54790031e+01 -4.34673980e+00 -9.07146002e+00 10 3.51182682e+00 1.43733319e+01 -8.53555673e+00 11 -1.65152330e+00 -4.67210662e-01 -4.49163779e-01 12 -7.65466048e+00 7.77060438e+00 4.01784210e+00 13 -3.88368799e+00 -6.14477729e+00 -2.11486650e+01 14 1.22080692e+01 8.31357091e+00 -1.03357129e+01 15 1.88680898e+01 -3.85411595e+00 -1.49752912e+00 16 -3.85885646e+00 1.87631639e+01 9.03069006e+00 17 -1.69843666e+01 -1.42013845e+01 -9.98678052e+00 18 2.93921238e+00 -6.63993450e+00 -4.21084691e+00 19 1.01313186e+01 -1.69530292e+01 1.33667106e+01 20 -1.24324883e+01 9.66092642e-01 1.39991991e+01 21 -1.26431502e+00 -1.35746275e+01 4.33168349e-01 22 1.66341347e+01 1.51281163e+00 -7.38849580e+00 23 6.56898139e+00 -6.78252615e+00 6.02204586e+00 24 -1.91094995e+00 -7.18323903e+00 2.18977522e+01 25 -1.96668742e+01 8.57190145e+00 -6.85042934e+00 26 -3.30745762e+00 1.47400988e+01 3.52393497e-01 27 -2.80047432e-01 9.75570434e+00 2.38725765e+01 28 -3.74845582e+00 5.16490289e+00 4.27210695e+00 29 -4.07959835e+00 5.26558752e+00 -1.09805344e+00 30 1.25741165e+01 1.59375000e+01 -4.77596644e+00 31 1.76626771e+01 -2.48706029e+00 1.32310394e+01 32 -5.28039916e+00 9.61429826e+00 1.13668134e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ti (Configuration in file "config-T-Ti.xyz") ----------------------------------------------------------------------------------------------------- Energy = 77.90933727862603 Forces: 1 -7.69693072e+00 -9.74167323e+00 -1.11086039e+01 2 -5.00767627e-01 1.88287176e-02 -1.64526592e+01 3 5.10397674e+00 -1.39740447e+01 7.07568757e+00 4 -1.49995037e+01 4.90873679e+00 1.06968098e+00 5 -1.02388690e+01 -1.23516997e+01 -1.25663373e+01 6 1.53389845e+01 1.27397344e+01 -2.76033766e+01 7 1.95154507e+01 -2.05058518e+01 1.46112733e+01 8 -6.13808362e+00 7.91045513e-01 8.46065699e+00 9 -1.54790031e+01 -4.34673980e+00 -9.07146002e+00 10 3.51182682e+00 1.43733319e+01 -8.53555673e+00 11 -1.65152330e+00 -4.67210662e-01 -4.49163779e-01 12 -7.65466048e+00 7.77060438e+00 4.01784210e+00 13 -3.88368799e+00 -6.14477729e+00 -2.11486650e+01 14 1.22080692e+01 8.31357091e+00 -1.03357129e+01 15 1.88680898e+01 -3.85411595e+00 -1.49752912e+00 16 -3.85885646e+00 1.87631639e+01 9.03069006e+00 17 -1.69843666e+01 -1.42013845e+01 -9.98678052e+00 18 2.93921238e+00 -6.63993450e+00 -4.21084691e+00 19 1.01313186e+01 -1.69530292e+01 1.33667106e+01 20 -1.24324883e+01 9.66092642e-01 1.39991991e+01 21 -1.26431502e+00 -1.35746275e+01 4.33168349e-01 22 1.66341347e+01 1.51281163e+00 -7.38849580e+00 23 6.56898139e+00 -6.78252615e+00 6.02204586e+00 24 -1.91094995e+00 -7.18323903e+00 2.18977522e+01 25 -1.96668742e+01 8.57190145e+00 -6.85042934e+00 26 -3.30745762e+00 1.47400988e+01 3.52393497e-01 27 -2.80047432e-01 9.75570434e+00 2.38725765e+01 28 -3.74845582e+00 5.16490289e+00 4.27210695e+00 29 -4.07959835e+00 5.26558752e+00 -1.09805344e+00 30 1.25741165e+01 1.59375000e+01 -4.77596644e+00 31 1.76626771e+01 -2.48706029e+00 1.32310394e+01 32 -5.28039916e+00 9.61429826e+00 1.13668134e+01 MIXED STRUCTURE (pbc=False)-- Species = Al Co Cr Cu Fe Mn Ni Ti (Configuration in file "config-F-AlCoCrCuFeMnNiTi.xyz") ----------------------------------------------------------------------------------------------------- Energy = 64.7833451539146 Forces: 1 -2.56283120e+00 -2.31280315e+00 -6.62417830e+00 2 -1.81387138e+01 -8.80500057e-01 -3.20040108e+01 3 -6.94471727e+00 -1.26980261e+01 9.65252823e+00 4 -1.41200823e+01 5.05093615e+00 2.31962116e+00 5 -5.14457244e+01 -1.18005020e+01 -5.94892862e+01 6 1.09831388e+01 -8.96960752e+00 -1.71267326e+01 7 5.73078073e+01 -1.81763611e+01 5.69261116e+01 8 -8.61637344e+00 -9.87634798e+00 1.16620412e+01 9 3.97649469e+01 -8.68847455e+01 -6.70140851e+01 10 -7.50497544e+00 2.26566424e+01 -2.71258453e+01 11 -9.16896170e+01 2.10350356e+01 5.60846873e+00 12 3.51107134e+01 6.89038847e+01 9.40178212e+01 13 2.05297104e+01 1.33647235e+01 -4.36642583e+01 14 -9.70349251e-01 8.45039769e+00 -1.38314219e+00 15 1.46879364e+01 9.97863181e+00 1.53891666e+01 16 2.01670311e+01 2.12372542e+01 1.82408856e+01 17 -9.36178076e+00 -1.19790283e+01 1.28018052e+01 18 6.41289416e+00 -9.86967858e+00 -4.12099921e+01 19 -1.37987903e+01 -2.25784877e+01 3.76236293e+01 20 -1.25693402e+01 -7.98987980e+00 5.31504327e+00 21 2.08648647e+01 -1.23833593e+01 -1.59316934e+01 22 1.25778234e+01 -3.99920336e+00 1.20000880e+01 23 1.91068914e+01 -2.66878593e+01 4.01762486e+00 24 -9.35564645e+00 1.59139241e+01 3.27613020e+00 25 -1.45399237e+01 5.46404780e+00 -4.66444465e+00 26 2.36284276e+01 -1.38821047e+01 1.62720214e+01 27 -1.53227905e+01 2.06988567e+01 3.28947205e+01 28 -1.71353819e+00 1.17547104e+01 7.81893061e+00 29 -1.13952438e+01 -2.12883262e+01 -4.38016083e+01 30 -3.29317823e+00 5.53259294e+00 -3.01281719e+00 31 1.53842348e+01 1.15860692e+01 1.44089516e+00 32 -3.18280401e+00 4.06291138e+01 1.57745616e+01 MIXED STRUCTURE (pbc=True)-- Species = Al Co Cr Cu Fe Mn Ni Ti (Configuration in file "config-T-AlCoCrCuFeMnNiTi.xyz") ----------------------------------------------------------------------------------------------------- Energy = 114.96002861406838 Forces: 1 -1.06984845e+01 3.72212741e+00 6.93430276e-01 2 -1.60147722e+01 -9.35599626e+00 -1.96512146e+01 3 -2.38418641e+00 -1.03667763e+01 7.86419995e+00 4 1.32273304e+01 7.28968450e+00 -2.58051505e+00 5 -4.47611565e+01 -5.14799596e+00 -4.63216491e+01 6 2.73133036e+00 -1.13407144e+01 -2.19087807e+01 7 2.79429796e+01 -1.46241357e+00 3.56063206e+00 8 -1.08308110e+01 -2.61410925e+00 1.90119143e+01 9 9.80873747e+01 -7.06813552e+01 -1.03958090e+02 10 -1.11882017e+01 2.02364616e+01 -1.67882240e+01 11 -1.06591819e+02 2.09623668e+01 -3.33490206e+00 12 6.08746211e+01 7.72930840e+01 1.11377704e+02 13 2.96991191e+01 1.17277882e+01 -3.56405343e+01 14 -5.20537182e+00 4.01887972e+00 -1.49331446e+01 15 -2.20887220e+01 -2.78149046e+00 9.24141919e+01 16 4.87306640e+01 3.90740506e+01 3.07169067e+01 17 2.91068485e+00 -1.79960621e+01 2.55286874e+01 18 1.11501731e+01 -1.91994316e+01 -5.36933361e+01 19 -1.96922563e+01 -5.34803614e+00 2.95411736e+01 20 -8.32035830e+00 -1.70037173e+01 -1.76512551e+00 21 1.95705802e+01 3.78652166e+00 -1.70173176e+01 22 -5.01637415e+00 5.12227996e-01 2.68728513e+01 23 2.94734454e+01 -3.36684942e+01 -1.05965568e+01 24 -1.61080608e+01 2.32920131e+01 3.31299874e+00 25 -2.04328651e+01 -1.70715893e+01 -3.61888774e+01 26 1.17405604e+01 -2.76650660e+01 4.52620972e-01 27 -2.03666815e+01 2.79264250e+01 2.04074516e+01 28 -4.84616208e+00 1.35077400e+01 1.22069203e+01 29 -8.96781478e-01 -7.19608582e+00 -3.07874843e+01 30 -3.57028103e+01 -2.40243079e+01 2.60703046e+01 31 -3.49296222e+00 1.37176713e+01 -3.43617939e+00 32 8.49997447e+00 1.58565997e+01 8.56994374e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==1244637== Memcheck, a memory error detector ==1244637== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==1244637== Using Valgrind-3.18.1 and LibVEX; rerun with -h for copyright info ==1244637== Command: python runner2.py MEAM_LAMMPS_SharifiWick_2025_FeMnNiTiCuCrCoAl__MO_675947402254_000 ==1244637== ==1244637== Invalid read of size 8 ==1244637== at 0x40286A0: strncmp (strcmp.S:170) ==1244637== by 0x400668D: is_dst (dl-load.c:216) ==1244637== by 0x400810E: _dl_dst_count (dl-load.c:253) ==1244637== by 0x400810E: expand_dynamic_string_token (dl-load.c:395) ==1244637== by 0x40082B7: fillin_rpath.isra.0 (dl-load.c:483) ==1244637== by 0x4008602: decompose_rpath (dl-load.c:654) ==1244637== by 0x400A8C8: cache_rpath (dl-load.c:696) ==1244637== by 0x400A8C8: cache_rpath (dl-load.c:677) ==1244637== by 0x400A8C8: _dl_map_object (dl-load.c:2117) ==1244637== by 0x4003494: openaux (dl-deps.c:64) ==1244637== by 0x4B08A97: _dl_catch_exception (dl-error-skeleton.c:208) ==1244637== by 0x4003C7B: _dl_map_object_deps (dl-deps.c:248) ==1244637== by 0x400EA0E: dl_open_worker_begin (dl-open.c:592) ==1244637== by 0x4B08A97: _dl_catch_exception (dl-error-skeleton.c:208) ==1244637== by 0x400DF99: dl_open_worker (dl-open.c:782) ==1244637== Address 0x64cd3e1 is 1 bytes inside a block of size 8 alloc'd ==1244637== at 0x4848899: malloc (in /usr/libexec/valgrind/vgpreload_memcheck-amd64-linux.so) ==1244637== by 0x40271DF: malloc (rtld-malloc.h:56) ==1244637== by 0x40271DF: strdup (strdup.c:42) ==1244637== by 0x4008594: decompose_rpath (dl-load.c:629) ==1244637== by 0x400A8C8: cache_rpath (dl-load.c:696) ==1244637== by 0x400A8C8: cache_rpath (dl-load.c:677) ==1244637== by 0x400A8C8: _dl_map_object (dl-load.c:2117) ==1244637== by 0x4003494: openaux (dl-deps.c:64) ==1244637== by 0x4B08A97: _dl_catch_exception (dl-error-skeleton.c:208) ==1244637== by 0x4003C7B: _dl_map_object_deps (dl-deps.c:248) ==1244637== by 0x400EA0E: dl_open_worker_begin (dl-open.c:592) ==1244637== by 0x4B08A97: _dl_catch_exception (dl-error-skeleton.c:208) ==1244637== by 0x400DF99: dl_open_worker (dl-open.c:782) ==1244637== by 0x4B08A97: _dl_catch_exception (dl-error-skeleton.c:208) ==1244637== by 0x400E34D: _dl_open (dl-open.c:883) ==1244637== ==1244637== Invalid read of size 8 ==1244637== at 0x40286A8: strncmp (strcmp.S:172) ==1244637== by 0x400668D: is_dst (dl-load.c:216) ==1244637== by 0x400810E: _dl_dst_count (dl-load.c:253) ==1244637== by 0x400810E: expand_dynamic_string_token (dl-load.c:395) ==1244637== by 0x40082B7: fillin_rpath.isra.0 (dl-load.c:483) ==1244637== by 0x4008602: decompose_rpath (dl-load.c:654) ==1244637== by 0x400A8C8: cache_rpath (dl-load.c:696) ==1244637== by 0x400A8C8: cache_rpath (dl-load.c:677) ==1244637== by 0x400A8C8: _dl_map_object (dl-load.c:2117) ==1244637== by 0x4003494: openaux (dl-deps.c:64) ==1244637== by 0x4B08A97: _dl_catch_exception (dl-error-skeleton.c:208) ==1244637== by 0x4003C7B: _dl_map_object_deps (dl-deps.c:248) ==1244637== by 0x400EA0E: dl_open_worker_begin (dl-open.c:592) ==1244637== by 0x4B08A97: _dl_catch_exception (dl-error-skeleton.c:208) ==1244637== by 0x400DF99: dl_open_worker (dl-open.c:782) ==1244637== Address 0x64cd3e9 is 1 bytes after a block of size 8 alloc'd ==1244637== at 0x4848899: malloc (in /usr/libexec/valgrind/vgpreload_memcheck-amd64-linux.so) ==1244637== by 0x40271DF: malloc (rtld-malloc.h:56) ==1244637== by 0x40271DF: strdup (strdup.c:42) ==1244637== by 0x4008594: decompose_rpath (dl-load.c:629) ==1244637== by 0x400A8C8: cache_rpath (dl-load.c:696) ==1244637== by 0x400A8C8: cache_rpath (dl-load.c:677) ==1244637== by 0x400A8C8: _dl_map_object (dl-load.c:2117) ==1244637== by 0x4003494: openaux (dl-deps.c:64) ==1244637== by 0x4B08A97: _dl_catch_exception (dl-error-skeleton.c:208) ==1244637== by 0x4003C7B: _dl_map_object_deps (dl-deps.c:248) ==1244637== by 0x400EA0E: dl_open_worker_begin (dl-open.c:592) ==1244637== by 0x4B08A97: _dl_catch_exception (dl-error-skeleton.c:208) ==1244637== by 0x400DF99: dl_open_worker (dl-open.c:782) ==1244637== by 0x4B08A97: _dl_catch_exception (dl-error-skeleton.c:208) ==1244637== by 0x400E34D: _dl_open (dl-open.c:883) ==1244637== ==1244637== Invalid read of size 8 ==1244637== at 0x40286A0: strncmp (strcmp.S:170) ==1244637== by 0x400668D: is_dst (dl-load.c:216) ==1244637== by 0x4007F79: _dl_dst_substitute (dl-load.c:295) ==1244637== by 0x40082B7: fillin_rpath.isra.0 (dl-load.c:483) ==1244637== by 0x4008602: decompose_rpath (dl-load.c:654) ==1244637== by 0x400A8C8: cache_rpath (dl-load.c:696) ==1244637== by 0x400A8C8: cache_rpath (dl-load.c:677) ==1244637== by 0x400A8C8: _dl_map_object (dl-load.c:2117) ==1244637== by 0x4003494: openaux (dl-deps.c:64) ==1244637== by 0x4B08A97: _dl_catch_exception (dl-error-skeleton.c:208) ==1244637== by 0x4003C7B: _dl_map_object_deps (dl-deps.c:248) ==1244637== by 0x400EA0E: dl_open_worker_begin (dl-open.c:592) ==1244637== by 0x4B08A97: _dl_catch_exception (dl-error-skeleton.c:208) ==1244637== by 0x400DF99: dl_open_worker (dl-open.c:782) ==1244637== Address 0x64cd3e1 is 1 bytes inside a block of size 8 alloc'd ==1244637== at 0x4848899: malloc (in /usr/libexec/valgrind/vgpreload_memcheck-amd64-linux.so) ==1244637== by 0x40271DF: malloc (rtld-malloc.h:56) ==1244637== by 0x40271DF: strdup (strdup.c:42) ==1244637== by 0x4008594: decompose_rpath (dl-load.c:629) ==1244637== by 0x400A8C8: cache_rpath (dl-load.c:696) ==1244637== by 0x400A8C8: cache_rpath (dl-load.c:677) ==1244637== by 0x400A8C8: _dl_map_object (dl-load.c:2117) ==1244637== by 0x4003494: openaux (dl-deps.c:64) ==1244637== by 0x4B08A97: _dl_catch_exception (dl-error-skeleton.c:208) ==1244637== by 0x4003C7B: _dl_map_object_deps (dl-deps.c:248) ==1244637== by 0x400EA0E: dl_open_worker_begin (dl-open.c:592) ==1244637== by 0x4B08A97: _dl_catch_exception (dl-error-skeleton.c:208) ==1244637== by 0x400DF99: dl_open_worker (dl-open.c:782) ==1244637== by 0x4B08A97: _dl_catch_exception (dl-error-skeleton.c:208) ==1244637== by 0x400E34D: _dl_open (dl-open.c:883) ==1244637== ==1244637== Invalid read of size 8 ==1244637== at 0x40286A8: strncmp (strcmp.S:172) ==1244637== by 0x400668D: is_dst (dl-load.c:216) ==1244637== by 0x4007F79: _dl_dst_substitute (dl-load.c:295) ==1244637== by 0x40082B7: fillin_rpath.isra.0 (dl-load.c:483) ==1244637== by 0x4008602: decompose_rpath (dl-load.c:654) ==1244637== by 0x400A8C8: cache_rpath (dl-load.c:696) ==1244637== by 0x400A8C8: cache_rpath (dl-load.c:677) ==1244637== by 0x400A8C8: _dl_map_object (dl-load.c:2117) ==1244637== by 0x4003494: openaux (dl-deps.c:64) ==1244637== by 0x4B08A97: _dl_catch_exception (dl-error-skeleton.c:208) ==1244637== by 0x4003C7B: _dl_map_object_deps (dl-deps.c:248) ==1244637== by 0x400EA0E: dl_open_worker_begin (dl-open.c:592) ==1244637== by 0x4B08A97: _dl_catch_exception (dl-error-skeleton.c:208) ==1244637== by 0x400DF99: dl_open_worker (dl-open.c:782) ==1244637== Address 0x64cd3e9 is 1 bytes after a block of size 8 alloc'd ==1244637== at 0x4848899: malloc (in /usr/libexec/valgrind/vgpreload_memcheck-amd64-linux.so) ==1244637== by 0x40271DF: malloc (rtld-malloc.h:56) ==1244637== by 0x40271DF: strdup (strdup.c:42) ==1244637== by 0x4008594: decompose_rpath (dl-load.c:629) ==1244637== by 0x400A8C8: cache_rpath (dl-load.c:696) ==1244637== by 0x400A8C8: cache_rpath (dl-load.c:677) ==1244637== by 0x400A8C8: _dl_map_object (dl-load.c:2117) ==1244637== by 0x4003494: openaux (dl-deps.c:64) ==1244637== by 0x4B08A97: _dl_catch_exception (dl-error-skeleton.c:208) ==1244637== by 0x4003C7B: _dl_map_object_deps (dl-deps.c:248) ==1244637== by 0x400EA0E: dl_open_worker_begin (dl-open.c:592) ==1244637== by 0x4B08A97: _dl_catch_exception (dl-error-skeleton.c:208) ==1244637== by 0x400DF99: dl_open_worker (dl-open.c:782) ==1244637== by 0x4B08A97: _dl_catch_exception (dl-error-skeleton.c:208) ==1244637== by 0x400E34D: _dl_open (dl-open.c:883) ==1244637== ==1244637== Mismatched free() / delete / delete [] ==1244637== at 0x484B8AF: operator delete(void*) (in /usr/libexec/valgrind/vgpreload_memcheck-amd64-linux.so) ==1244637== by 0x3E3C3401: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /anvil/scratch/x-bwaters/jobs/jobs/7136d5b8-39e5-4796-b424-7a993c69e14c-007/VC_561022993723_004-and-MO_675947402254_000-1750715347/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1244637== by 0x3E3A8E34: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /anvil/scratch/x-bwaters/jobs/jobs/7136d5b8-39e5-4796-b424-7a993c69e14c-007/VC_561022993723_004-and-MO_675947402254_000-1750715347/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1244637== by 0x3E3AA962: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /anvil/scratch/x-bwaters/jobs/jobs/7136d5b8-39e5-4796-b424-7a993c69e14c-007/VC_561022993723_004-and-MO_675947402254_000-1750715347/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1244637== by 0x3E27E757: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /anvil/scratch/x-bwaters/jobs/jobs/7136d5b8-39e5-4796-b424-7a993c69e14c-007/VC_561022993723_004-and-MO_675947402254_000-1750715347/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1244637== by 0x3E281F12: ModelDriverCreateRoutine (in /anvil/scratch/x-bwaters/jobs/jobs/7136d5b8-39e5-4796-b424-7a993c69e14c-007/VC_561022993723_004-and-MO_675947402254_000-1750715347/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1244637== by 0x3DB2B5D1: KIM::ModelImplementation::InitializeParameterizedModel(KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, KIM::Collections*) (in /usr/local/lib/libkim-api.so.2.4.1) ==1244637== by 0x3DB2C422: 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.2.4.1) ==1244637== by 0x3DB2E399: 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.2.4.1) ==1244637== by 0x3DADADC6: 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.2.4.1) ==1244637== by 0x3DA39A63: operator() (KIM_Model_bind.cpp:400) ==1244637== by 0x3DA39A63: pybind11::tuple pybind11::detail::argument_loader, std::allocator > const&>::call_impl, std::allocator > const&)#21}&, 0ul, 1ul, 2ul, 3ul, 4ul, 5ul, 6ul, pybind11::detail::void_type>(pybind11_init_model(pybind11::module_&)::{lambda(KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&)#21}&, std::integer_sequence, pybind11::detail::void_type&&) && [clone .constprop.0] [clone .isra.0] (cast.h:1631) ==1244637== by 0x3DA39FA6: call&> (cast.h:1600) ==1244637== by 0x3DA39FA6: pybind11::cpp_function::initialize, std::allocator > const&)#21}, pybind11::tuple, KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&, pybind11::name, pybind11::scope, pybind11::sibling, char [115], pybind11::arg, pybind11::arg, pybind11::arg, pybind11::arg, pybind11::arg, pybind11::arg, pybind11::arg>(pybind11_init_model(pybind11::module_&)::{lambda(KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&)#21}&&, pybind11::tuple (*)(KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&), pybind11::name const&, pybind11::scope const&, pybind11::sibling const&, char const (&) [115], pybind11::arg const&, pybind11::arg const&, pybind11::arg const&, pybind11::arg const&, pybind11::arg const&, pybind11::arg const&, pybind11::arg const&)::{lambda(pybind11::detail::function_call&)#3}::operator()(pybind11::detail::function_call&) const [clone .constprop.0] (pybind11.h:278) ==1244637== Address 0x2012e020 is 0 bytes inside a block of size 1,024 alloc'd ==1244637== at 0x484A2F3: operator new[](unsigned long) (in /usr/libexec/valgrind/vgpreload_memcheck-amd64-linux.so) ==1244637== by 0x3E3C2AFB: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /anvil/scratch/x-bwaters/jobs/jobs/7136d5b8-39e5-4796-b424-7a993c69e14c-007/VC_561022993723_004-and-MO_675947402254_000-1750715347/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1244637== by 0x3E3A8E34: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /anvil/scratch/x-bwaters/jobs/jobs/7136d5b8-39e5-4796-b424-7a993c69e14c-007/VC_561022993723_004-and-MO_675947402254_000-1750715347/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1244637== by 0x3E3AA962: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /anvil/scratch/x-bwaters/jobs/jobs/7136d5b8-39e5-4796-b424-7a993c69e14c-007/VC_561022993723_004-and-MO_675947402254_000-1750715347/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1244637== by 0x3E27E757: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /anvil/scratch/x-bwaters/jobs/jobs/7136d5b8-39e5-4796-b424-7a993c69e14c-007/VC_561022993723_004-and-MO_675947402254_000-1750715347/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1244637== by 0x3E281F12: ModelDriverCreateRoutine (in /anvil/scratch/x-bwaters/jobs/jobs/7136d5b8-39e5-4796-b424-7a993c69e14c-007/VC_561022993723_004-and-MO_675947402254_000-1750715347/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1244637== by 0x3DB2B5D1: KIM::ModelImplementation::InitializeParameterizedModel(KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, KIM::Collections*) (in /usr/local/lib/libkim-api.so.2.4.1) ==1244637== by 0x3DB2C422: 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.2.4.1) ==1244637== by 0x3DB2E399: 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.2.4.1) ==1244637== by 0x3DADADC6: 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.2.4.1) ==1244637== by 0x3DA39A63: operator() (KIM_Model_bind.cpp:400) ==1244637== by 0x3DA39A63: pybind11::tuple pybind11::detail::argument_loader, std::allocator > const&>::call_impl, std::allocator > const&)#21}&, 0ul, 1ul, 2ul, 3ul, 4ul, 5ul, 6ul, pybind11::detail::void_type>(pybind11_init_model(pybind11::module_&)::{lambda(KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&)#21}&, std::integer_sequence, pybind11::detail::void_type&&) && [clone .constprop.0] [clone .isra.0] (cast.h:1631) ==1244637== by 0x3DA39FA6: call&> (cast.h:1600) ==1244637== by 0x3DA39FA6: pybind11::cpp_function::initialize, std::allocator > const&)#21}, pybind11::tuple, KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&, pybind11::name, pybind11::scope, pybind11::sibling, char [115], pybind11::arg, pybind11::arg, pybind11::arg, pybind11::arg, pybind11::arg, pybind11::arg, pybind11::arg>(pybind11_init_model(pybind11::module_&)::{lambda(KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&)#21}&&, pybind11::tuple (*)(KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&), pybind11::name const&, pybind11::scope const&, pybind11::sibling const&, char const (&) [115], pybind11::arg const&, pybind11::arg const&, pybind11::arg const&, pybind11::arg const&, pybind11::arg const&, pybind11::arg const&, pybind11::arg const&)::{lambda(pybind11::detail::function_call&)#3}::operator()(pybind11::detail::function_call&) const [clone .constprop.0] (pybind11.h:278) ==1244637== ==1244637== Mismatched free() / delete / delete [] ==1244637== at 0x484B8AF: operator delete(void*) (in /usr/libexec/valgrind/vgpreload_memcheck-amd64-linux.so) ==1244637== by 0x3E3BDD0C: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /anvil/scratch/x-bwaters/jobs/jobs/7136d5b8-39e5-4796-b424-7a993c69e14c-007/VC_561022993723_004-and-MO_675947402254_000-1750715347/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1244637== by 0x3E3A8E63: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /anvil/scratch/x-bwaters/jobs/jobs/7136d5b8-39e5-4796-b424-7a993c69e14c-007/VC_561022993723_004-and-MO_675947402254_000-1750715347/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1244637== by 0x3E3AA962: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /anvil/scratch/x-bwaters/jobs/jobs/7136d5b8-39e5-4796-b424-7a993c69e14c-007/VC_561022993723_004-and-MO_675947402254_000-1750715347/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1244637== by 0x3E27E757: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /anvil/scratch/x-bwaters/jobs/jobs/7136d5b8-39e5-4796-b424-7a993c69e14c-007/VC_561022993723_004-and-MO_675947402254_000-1750715347/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1244637== by 0x3E281F12: ModelDriverCreateRoutine (in /anvil/scratch/x-bwaters/jobs/jobs/7136d5b8-39e5-4796-b424-7a993c69e14c-007/VC_561022993723_004-and-MO_675947402254_000-1750715347/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1244637== by 0x3DB2B5D1: KIM::ModelImplementation::InitializeParameterizedModel(KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, KIM::Collections*) (in /usr/local/lib/libkim-api.so.2.4.1) ==1244637== by 0x3DB2C422: 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.2.4.1) ==1244637== by 0x3DB2E399: 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.2.4.1) ==1244637== by 0x3DADADC6: 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.2.4.1) ==1244637== by 0x3DA39A63: operator() (KIM_Model_bind.cpp:400) ==1244637== by 0x3DA39A63: pybind11::tuple pybind11::detail::argument_loader, std::allocator > const&>::call_impl, std::allocator > const&)#21}&, 0ul, 1ul, 2ul, 3ul, 4ul, 5ul, 6ul, pybind11::detail::void_type>(pybind11_init_model(pybind11::module_&)::{lambda(KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&)#21}&, std::integer_sequence, pybind11::detail::void_type&&) && [clone .constprop.0] [clone .isra.0] (cast.h:1631) ==1244637== by 0x3DA39FA6: call&> (cast.h:1600) ==1244637== by 0x3DA39FA6: pybind11::cpp_function::initialize, std::allocator > const&)#21}, pybind11::tuple, KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&, pybind11::name, pybind11::scope, pybind11::sibling, char [115], pybind11::arg, pybind11::arg, pybind11::arg, pybind11::arg, pybind11::arg, pybind11::arg, pybind11::arg>(pybind11_init_model(pybind11::module_&)::{lambda(KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&)#21}&&, pybind11::tuple (*)(KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&), pybind11::name const&, pybind11::scope const&, pybind11::sibling const&, char const (&) [115], pybind11::arg const&, pybind11::arg const&, pybind11::arg const&, pybind11::arg const&, pybind11::arg const&, pybind11::arg const&, pybind11::arg const&)::{lambda(pybind11::detail::function_call&)#3}::operator()(pybind11::detail::function_call&) const [clone .constprop.0] (pybind11.h:278) ==1244637== Address 0x62473f0 is 0 bytes inside a block of size 1,024 alloc'd ==1244637== at 0x484A2F3: operator new[](unsigned long) (in /usr/libexec/valgrind/vgpreload_memcheck-amd64-linux.so) ==1244637== by 0x3E3BDA9B: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /anvil/scratch/x-bwaters/jobs/jobs/7136d5b8-39e5-4796-b424-7a993c69e14c-007/VC_561022993723_004-and-MO_675947402254_000-1750715347/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1244637== by 0x3E3A8E63: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /anvil/scratch/x-bwaters/jobs/jobs/7136d5b8-39e5-4796-b424-7a993c69e14c-007/VC_561022993723_004-and-MO_675947402254_000-1750715347/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1244637== by 0x3E3AA962: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /anvil/scratch/x-bwaters/jobs/jobs/7136d5b8-39e5-4796-b424-7a993c69e14c-007/VC_561022993723_004-and-MO_675947402254_000-1750715347/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1244637== by 0x3E27E757: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /anvil/scratch/x-bwaters/jobs/jobs/7136d5b8-39e5-4796-b424-7a993c69e14c-007/VC_561022993723_004-and-MO_675947402254_000-1750715347/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1244637== by 0x3E281F12: ModelDriverCreateRoutine (in /anvil/scratch/x-bwaters/jobs/jobs/7136d5b8-39e5-4796-b424-7a993c69e14c-007/VC_561022993723_004-and-MO_675947402254_000-1750715347/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1244637== by 0x3DB2B5D1: KIM::ModelImplementation::InitializeParameterizedModel(KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, KIM::Collections*) (in /usr/local/lib/libkim-api.so.2.4.1) ==1244637== by 0x3DB2C422: 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.2.4.1) ==1244637== by 0x3DB2E399: 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.2.4.1) ==1244637== by 0x3DADADC6: 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.2.4.1) ==1244637== by 0x3DA39A63: operator() (KIM_Model_bind.cpp:400) ==1244637== by 0x3DA39A63: pybind11::tuple pybind11::detail::argument_loader, std::allocator > const&>::call_impl, std::allocator > const&)#21}&, 0ul, 1ul, 2ul, 3ul, 4ul, 5ul, 6ul, pybind11::detail::void_type>(pybind11_init_model(pybind11::module_&)::{lambda(KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&)#21}&, std::integer_sequence, pybind11::detail::void_type&&) && [clone .constprop.0] [clone .isra.0] (cast.h:1631) ==1244637== by 0x3DA39FA6: call&> (cast.h:1600) ==1244637== by 0x3DA39FA6: pybind11::cpp_function::initialize, std::allocator > const&)#21}, pybind11::tuple, KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&, pybind11::name, pybind11::scope, pybind11::sibling, char [115], pybind11::arg, pybind11::arg, pybind11::arg, pybind11::arg, pybind11::arg, pybind11::arg, pybind11::arg>(pybind11_init_model(pybind11::module_&)::{lambda(KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&)#21}&&, pybind11::tuple (*)(KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&), pybind11::name const&, pybind11::scope const&, pybind11::sibling const&, char const (&) [115], pybind11::arg const&, pybind11::arg const&, pybind11::arg const&, pybind11::arg const&, pybind11::arg const&, pybind11::arg const&, pybind11::arg const&)::{lambda(pybind11::detail::function_call&)#3}::operator()(pybind11::detail::function_call&) const [clone .constprop.0] (pybind11.h:278) ==1244637== ==1244637== ==1244637== HEAP SUMMARY: ==1244637== in use at exit: 3,735,106 bytes in 5,936 blocks ==1244637== total heap usage: 264,643 allocs, 258,707 frees, 3,233,934,963 bytes allocated ==1244637== ==1244637== LEAK SUMMARY: ==1244637== definitely lost: 0 bytes in 0 blocks ==1244637== indirectly lost: 0 bytes in 0 blocks ==1244637== possibly lost: 158,559 bytes in 109 blocks ==1244637== still reachable: 3,576,547 bytes in 5,827 blocks ==1244637== of which reachable via heuristic: ==1244637== stdstring : 4,256 bytes in 48 blocks ==1244637== suppressed: 0 bytes in 0 blocks ==1244637== Rerun with --leak-check=full to see details of leaked memory ==1244637== ==1244637== For lists of detected and suppressed errors, rerun with: -s ==1244637== ERROR SUMMARY: 64 errors from 6 contexts (suppressed: 0 from 0) ================================================================================ 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.