Enter a model name: === Verification check vc-memory-leak start (2022-11-29 20:36:37) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_KoShimLee_2011_NiH__MO_091278480940_001 Supported species : H Ni 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 = -6.19912101089898 Forces: 1 3.83782339e-01 3.06082863e-01 6.43612418e-01 2 6.57336842e-01 -6.87330523e-01 8.66148656e-02 3 -3.04876615e-01 9.89211448e-02 -3.64860279e-01 4 2.48933243e-01 -3.84243702e-01 -2.55947573e-01 5 -4.72050936e-01 6.59344539e-01 -3.39061736e-01 6 -4.26055110e-01 -2.83332286e-01 2.93201117e-01 7 4.83713988e-01 1.15592828e+00 1.63664938e+00 8 7.45099334e-01 3.61023732e-02 -9.00776443e-02 9 4.22129090e-01 1.20110706e+00 4.48361438e-01 10 -3.99840940e-01 -1.13781451e+00 5.41714472e-01 11 -6.78153764e-01 7.42511900e-01 -5.99360602e-01 12 -1.51234375e-01 -3.91100887e-01 -1.44315035e-01 13 9.17845951e-01 6.16181377e-01 8.49866424e-01 14 -6.86190294e-02 -4.75593806e-01 3.38022466e-01 15 -5.41198728e-01 1.95234702e-01 -1.00495573e+00 16 -5.32985118e-01 -3.29554909e-01 -7.68670624e-01 17 3.19133546e-01 1.85239850e-01 5.25271597e-01 18 -1.91837270e-01 -4.81443028e-01 5.99883797e-01 19 -4.17545784e-01 5.25649022e-01 -1.91525783e-01 20 8.41686776e-02 -4.32704043e-01 -2.21551267e-01 21 5.76371611e-01 1.14987476e-01 -1.67280189e-01 22 -5.77534895e-01 -1.16509953e+00 -1.26588327e+00 23 -1.92641719e-01 2.76851476e-02 -2.61545867e-01 24 -2.15377825e-01 -3.00687826e-01 -4.25892182e-01 25 -9.70389336e-02 3.05561819e-01 -2.82101032e-01 26 1.06765376e+00 -6.27635724e-01 1.14744160e+00 27 -8.67987788e-01 1.46292730e+00 6.17706230e-02 28 1.30267280e+00 -1.18559594e+00 -6.48269965e-02 29 3.72299300e-01 -2.14415416e-01 5.23166584e-01 30 6.16773980e-02 -3.10738502e-01 2.34254993e-01 31 -3.17184862e-01 4.24327122e-01 -5.39158627e-01 32 -1.19065419e+00 3.49498665e-01 -9.42817328e-01 MONOATOMIC STRUCTURE (pbc=True)-- Species = H (Configuration in file "config-T-H.xyz") ----------------------------------------------------------------------------------------------------- Energy = -6.19912101089898 Forces: 1 3.83782339e-01 3.06082863e-01 6.43612418e-01 2 6.57336842e-01 -6.87330523e-01 8.66148656e-02 3 -3.04876615e-01 9.89211448e-02 -3.64860279e-01 4 2.48933243e-01 -3.84243702e-01 -2.55947573e-01 5 -4.72050936e-01 6.59344539e-01 -3.39061736e-01 6 -4.26055110e-01 -2.83332286e-01 2.93201117e-01 7 4.83713988e-01 1.15592828e+00 1.63664938e+00 8 7.45099334e-01 3.61023732e-02 -9.00776443e-02 9 4.22129090e-01 1.20110706e+00 4.48361438e-01 10 -3.99840940e-01 -1.13781451e+00 5.41714472e-01 11 -6.78153764e-01 7.42511900e-01 -5.99360602e-01 12 -1.51234375e-01 -3.91100887e-01 -1.44315035e-01 13 9.17845951e-01 6.16181377e-01 8.49866424e-01 14 -6.86190294e-02 -4.75593806e-01 3.38022466e-01 15 -5.41198728e-01 1.95234702e-01 -1.00495573e+00 16 -5.32985118e-01 -3.29554909e-01 -7.68670624e-01 17 3.19133546e-01 1.85239850e-01 5.25271597e-01 18 -1.91837270e-01 -4.81443028e-01 5.99883797e-01 19 -4.17545784e-01 5.25649022e-01 -1.91525783e-01 20 8.41686776e-02 -4.32704043e-01 -2.21551267e-01 21 5.76371611e-01 1.14987476e-01 -1.67280189e-01 22 -5.77534895e-01 -1.16509953e+00 -1.26588327e+00 23 -1.92641719e-01 2.76851476e-02 -2.61545867e-01 24 -2.15377825e-01 -3.00687826e-01 -4.25892182e-01 25 -9.70389336e-02 3.05561819e-01 -2.82101032e-01 26 1.06765376e+00 -6.27635724e-01 1.14744160e+00 27 -8.67987788e-01 1.46292730e+00 6.17706230e-02 28 1.30267280e+00 -1.18559594e+00 -6.48269965e-02 29 3.72299300e-01 -2.14415416e-01 5.23166584e-01 30 6.16773980e-02 -3.10738502e-01 2.34254993e-01 31 -3.17184862e-01 4.24327122e-01 -5.39158627e-01 32 -1.19065419e+00 3.49498665e-01 -9.42817328e-01 MONOATOMIC STRUCTURE (pbc=False)-- Species = Ni (Configuration in file "config-F-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = -5.9504356039592645 Forces: 1 -8.59417206e+00 -7.21700197e+00 -8.14771662e+00 2 4.07955582e+00 8.77939262e+00 -2.19432978e+01 3 1.41200018e+01 -1.96233795e+01 9.96942927e+00 4 -1.54697029e+01 1.05147879e+01 1.23480390e+01 5 -1.17319065e+00 -3.27616476e+00 -3.70946044e+00 6 4.45048296e+00 8.37884595e+00 -8.68571963e+00 7 1.55619335e+01 -1.12104693e+01 -1.01687827e+01 8 9.64415992e+00 -5.76793235e+00 4.18793755e+00 9 -1.23858340e+01 -4.81299860e+01 -4.17953769e+01 10 6.07400165e+00 1.29786236e+01 -1.01885142e+01 11 -3.03822025e+01 7.69288010e+00 -2.50374533e+01 12 -6.06766399e+00 4.71872929e+01 4.39418170e+01 13 7.28110231e+00 -4.27914522e+00 -4.03752551e+00 14 3.19341050e+00 7.05388074e-01 -2.75147656e+00 15 2.35149420e+00 -1.27700028e+00 -1.21660549e+00 16 2.31069091e+00 3.03229154e+00 -9.17254959e+00 17 -1.24160580e+01 -9.01126145e+00 -1.25777195e+01 18 -6.76701112e-01 -1.11964754e+01 -6.96960115e+00 19 1.51026894e+01 -1.27665923e+01 1.29740656e+01 20 -2.41223968e+01 1.07529631e+01 1.75197253e+01 21 -2.55815450e+01 -1.30154127e+01 1.07757167e+01 22 2.15615205e+01 1.20507917e+01 -1.42375605e+01 23 6.26748451e+00 -1.26889817e+01 8.28409359e+00 24 -1.37573183e+01 7.31140928e+00 2.19070374e+01 25 -7.71832795e+00 -8.27855375e+00 -8.05472638e+00 26 -5.98730178e+00 6.55263078e+00 9.86005582e+00 27 7.65528688e+00 -3.14672525e+00 8.58578623e+00 28 -6.93255838e+00 1.07157036e+01 4.59707693e+00 29 4.09107501e+01 1.74397136e+01 1.77780997e+01 30 8.49696360e+00 3.71218007e+00 7.94837855e-01 31 8.82450469e+00 -1.70542634e+00 1.02166147e+00 32 -6.62105979e+00 4.78561341e+00 4.14870688e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ni (Configuration in file "config-T-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = -5.9504356039592645 Forces: 1 -8.59417206e+00 -7.21700197e+00 -8.14771662e+00 2 4.07955582e+00 8.77939262e+00 -2.19432978e+01 3 1.41200018e+01 -1.96233795e+01 9.96942927e+00 4 -1.54697029e+01 1.05147879e+01 1.23480390e+01 5 -1.17319065e+00 -3.27616476e+00 -3.70946044e+00 6 4.45048296e+00 8.37884595e+00 -8.68571963e+00 7 1.55619335e+01 -1.12104693e+01 -1.01687827e+01 8 9.64415992e+00 -5.76793235e+00 4.18793755e+00 9 -1.23858340e+01 -4.81299860e+01 -4.17953769e+01 10 6.07400165e+00 1.29786236e+01 -1.01885142e+01 11 -3.03822025e+01 7.69288010e+00 -2.50374533e+01 12 -6.06766399e+00 4.71872929e+01 4.39418170e+01 13 7.28110231e+00 -4.27914522e+00 -4.03752551e+00 14 3.19341050e+00 7.05388074e-01 -2.75147656e+00 15 2.35149420e+00 -1.27700028e+00 -1.21660549e+00 16 2.31069091e+00 3.03229154e+00 -9.17254959e+00 17 -1.24160580e+01 -9.01126145e+00 -1.25777195e+01 18 -6.76701112e-01 -1.11964754e+01 -6.96960115e+00 19 1.51026894e+01 -1.27665923e+01 1.29740656e+01 20 -2.41223968e+01 1.07529631e+01 1.75197253e+01 21 -2.55815450e+01 -1.30154127e+01 1.07757167e+01 22 2.15615205e+01 1.20507917e+01 -1.42375605e+01 23 6.26748451e+00 -1.26889817e+01 8.28409359e+00 24 -1.37573183e+01 7.31140928e+00 2.19070374e+01 25 -7.71832795e+00 -8.27855375e+00 -8.05472638e+00 26 -5.98730178e+00 6.55263078e+00 9.86005582e+00 27 7.65528688e+00 -3.14672525e+00 8.58578623e+00 28 -6.93255838e+00 1.07157036e+01 4.59707693e+00 29 4.09107501e+01 1.74397136e+01 1.77780997e+01 30 8.49696360e+00 3.71218007e+00 7.94837855e-01 31 8.82450469e+00 -1.70542634e+00 1.02166147e+00 32 -6.62105979e+00 4.78561341e+00 4.14870688e+00 MIXED STRUCTURE (pbc=False)-- Species = H Ni (Configuration in file "config-F-HNi.xyz") ----------------------------------------------------------------------------------------------------- Energy = -50.89680520646742 Forces: 1 3.03202516e-01 2.35083122e+00 1.55956217e+00 2 -9.08338919e-01 -8.44200130e-01 -1.78957978e+00 3 1.45642666e+00 -2.97113356e+00 9.32793644e-01 4 -1.17203298e+00 -1.08825921e+01 -1.30972756e-01 5 3.32030830e+00 3.97682948e-01 -1.75984569e+00 6 -4.16535330e+00 -3.84712561e-01 -2.65474639e-01 7 1.24642639e+00 -5.79334218e-01 -2.56962547e+00 8 -2.24487565e+00 -7.62513685e-01 1.61073758e+00 9 1.70373854e-01 1.22549876e+00 -6.45570039e+00 10 -7.40024753e-01 1.31828560e+00 -8.29516324e-01 11 -1.61416390e+00 1.74684152e-01 -7.78435918e-02 12 -4.61724853e+00 5.56672004e+00 -1.20723365e+01 13 1.90732144e+00 1.22535092e+00 -1.58186037e-02 14 -4.20295650e-01 3.11956031e-01 4.59249938e-01 15 3.01512777e+00 7.29010468e-01 1.07041187e+00 16 -5.76772567e+00 -1.87820045e+00 -5.61817766e+00 17 -2.93823076e+00 2.66681832e-01 -2.85969422e+00 18 2.09189521e+00 1.45410399e+00 1.97960920e+00 19 1.39057890e+01 -1.35651001e+01 -3.93075056e+00 20 -1.50425480e+01 1.14936209e+01 6.60984199e+00 21 -9.58257020e-01 1.87047391e+00 -1.79742201e+00 22 -2.98037273e-01 -5.36867373e-02 4.05617518e+00 23 8.01822810e+00 -6.96999532e+00 5.90775731e-01 24 -3.86822765e+00 4.45630774e+00 2.21574578e-01 25 -8.91907447e+00 -7.65053374e+00 8.96858865e+00 26 9.40131047e+00 1.08924308e+01 4.35085275e+00 27 -5.88050256e+00 -4.11561120e+00 1.91376274e+00 28 1.04198217e+00 -9.26394541e-01 9.80588037e-01 29 -1.05168221e+00 7.63207224e-01 2.25091958e+00 30 5.51375948e+00 -2.72680574e-01 2.52720592e+00 31 4.07704566e+00 -2.96849120e+00 3.91622125e-01 32 5.13742216e+00 1.03283335e+01 -3.01513497e-01 MIXED STRUCTURE (pbc=True)-- Species = H Ni (Configuration in file "config-T-HNi.xyz") ----------------------------------------------------------------------------------------------------- Energy = -59.1248976141936 Forces: 1 -1.45256945e+00 2.03287725e+00 2.08419012e-01 2 -7.74490020e-01 -4.56926101e-02 -2.20149376e+00 3 5.20549324e-01 -2.59870531e+00 1.45202554e+00 4 -5.07775922e-01 -9.57224563e+00 1.12046281e+00 5 1.49008992e+00 -1.53962268e+00 -1.96590965e+00 6 -1.66667117e+00 -1.55858844e+00 4.71483711e+00 7 1.12416607e+00 -2.59286332e-01 -1.71393921e+00 8 -1.44771070e+00 -1.00467670e+00 6.18724789e-01 9 5.53344945e-01 9.24523338e+00 2.66765832e+00 10 7.21285625e-01 1.11265146e-01 -1.63550500e+00 11 -1.40263995e+00 2.89592226e-01 -4.78413317e-02 12 -2.27528246e+00 6.84540322e+00 -1.57776507e+01 13 1.13949637e+00 2.29711248e+00 -2.12796376e+00 14 5.03014060e-03 4.10460152e-01 -2.65434429e-01 15 2.50398109e+00 1.11354317e+00 5.19110533e-02 16 -4.77729525e+00 -1.09731933e+01 -1.22292275e+01 17 -2.70183405e+00 -1.93317257e-01 1.00643754e-01 18 1.31937907e+00 1.64604602e+00 6.97973283e-01 19 1.63963077e+01 -1.16920785e+01 -7.92141438e-01 20 -1.51291299e+01 8.97901702e+00 -1.44126377e+00 21 -2.82823470e+00 1.29486211e+01 4.07992333e+00 22 8.85428554e-01 -7.93431870e-03 3.54811212e+00 23 5.10768304e+00 -1.02690012e+01 -7.96629946e-01 24 -6.61036016e+00 5.36246463e+00 -9.69957366e-01 25 -4.01833132e+00 -1.17288299e+01 1.07526968e+01 26 9.67488258e+00 6.03881657e+00 8.27191230e-01 27 -4.15283927e+00 -5.66676114e+00 -1.11325516e+00 28 -7.26668104e-01 -9.53331663e-01 1.43624830e+00 29 -1.03416595e+00 7.84630668e-01 2.44770965e+00 30 2.89264303e-01 3.11441331e+00 4.93834353e+00 31 4.37846337e+00 -2.67303524e+00 1.59843640e+00 32 5.39664621e+00 9.51680383e+00 1.81689593e+00 ERROR: Unable to perform verification check. Message = [Errno 12] Cannot allocate memory === Verification check vc-memory-leak end (2022-11-29 20:36:39) ===