Enter a model name: === Verification check vc-memory-leak start (2022-11-29 20:36:32) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_DickelBaskesAslam_2018_MgAlZn__MO_093637366498_001 Supported species : Al Mg Zn 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 = 157.11436879577005 Forces: 1 -5.76632072e+00 -1.51138221e+01 -1.53162590e+01 2 -9.33991751e+00 1.25062732e+01 -1.34251738e+01 3 1.01889847e+01 -2.78581664e+01 -1.31313247e+01 4 -1.73858979e+01 1.28325700e+01 2.09662474e+00 5 3.08141655e-01 -2.48664621e+01 -5.19134060e+00 6 1.41444521e+01 8.31048081e+00 -1.56521732e+01 7 1.11654838e+01 -4.52159627e+01 -3.48517857e+01 8 -2.18111882e+01 -1.75680422e+01 -3.28901603e+00 9 -1.50067347e+01 -1.32692267e+01 -2.51513643e+01 10 -9.58961583e+00 3.05513359e+01 -3.23645973e+01 11 -4.74093205e+00 -2.27018212e+01 4.25261095e+00 12 -1.77608636e+01 2.63260055e+01 3.11243060e+00 13 -9.44498223e+00 -2.06541658e+01 -6.46274406e+01 14 1.36684179e+01 1.67891062e+01 -1.20097571e+01 15 6.00695528e+01 -8.11545581e+00 1.63280754e+01 16 7.99190344e+00 4.72461531e+01 2.30290157e+01 17 -2.80227038e+01 -1.79032952e+01 -4.21982414e+00 18 1.52194553e+01 2.26218224e+01 1.30970512e+01 19 7.02722006e+00 -2.04306555e+01 1.15937623e+01 20 -1.06573462e+01 1.27007297e+01 1.35580379e+01 21 -2.05177405e+01 -1.93430109e+01 1.38493986e+01 22 3.57771772e+01 3.98622376e+01 2.68142331e+01 23 7.17512698e+00 -5.61348799e+00 1.67792682e+01 24 5.32506466e+00 9.42306467e+00 7.68977854e+00 25 -1.93643278e+01 -9.47867657e+00 1.40239666e+01 26 -1.06440457e+01 2.96497313e+01 -1.39873426e+01 27 1.61961891e+01 -5.12038310e+01 1.73480863e+01 28 -4.29974800e+01 3.75081793e+01 1.04535200e+01 29 -1.25330507e+01 -1.69185440e+01 1.20115461e+01 30 1.50324910e+01 2.30490716e+01 -2.23226690e+00 31 2.26310127e+01 -1.86884930e+01 2.25303862e+01 32 1.36624740e+01 2.55663579e+01 2.68818737e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Al (Configuration in file "config-T-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 157.11436879577005 Forces: 1 -5.76632072e+00 -1.51138221e+01 -1.53162590e+01 2 -9.33991751e+00 1.25062732e+01 -1.34251738e+01 3 1.01889847e+01 -2.78581664e+01 -1.31313247e+01 4 -1.73858979e+01 1.28325700e+01 2.09662474e+00 5 3.08141655e-01 -2.48664621e+01 -5.19134060e+00 6 1.41444521e+01 8.31048081e+00 -1.56521732e+01 7 1.11654838e+01 -4.52159627e+01 -3.48517857e+01 8 -2.18111882e+01 -1.75680422e+01 -3.28901603e+00 9 -1.50067347e+01 -1.32692267e+01 -2.51513643e+01 10 -9.58961583e+00 3.05513359e+01 -3.23645973e+01 11 -4.74093205e+00 -2.27018212e+01 4.25261095e+00 12 -1.77608636e+01 2.63260055e+01 3.11243060e+00 13 -9.44498223e+00 -2.06541658e+01 -6.46274406e+01 14 1.36684179e+01 1.67891062e+01 -1.20097571e+01 15 6.00695528e+01 -8.11545581e+00 1.63280754e+01 16 7.99190344e+00 4.72461531e+01 2.30290157e+01 17 -2.80227038e+01 -1.79032952e+01 -4.21982414e+00 18 1.52194553e+01 2.26218224e+01 1.30970512e+01 19 7.02722006e+00 -2.04306555e+01 1.15937623e+01 20 -1.06573462e+01 1.27007297e+01 1.35580379e+01 21 -2.05177405e+01 -1.93430109e+01 1.38493986e+01 22 3.57771772e+01 3.98622376e+01 2.68142331e+01 23 7.17512698e+00 -5.61348799e+00 1.67792682e+01 24 5.32506466e+00 9.42306467e+00 7.68977854e+00 25 -1.93643278e+01 -9.47867657e+00 1.40239666e+01 26 -1.06440457e+01 2.96497313e+01 -1.39873426e+01 27 1.61961891e+01 -5.12038310e+01 1.73480863e+01 28 -4.29974800e+01 3.75081793e+01 1.04535200e+01 29 -1.25330507e+01 -1.69185440e+01 1.20115461e+01 30 1.50324910e+01 2.30490716e+01 -2.23226690e+00 31 2.26310127e+01 -1.86884930e+01 2.25303862e+01 32 1.36624740e+01 2.55663579e+01 2.68818737e+01 MONOATOMIC STRUCTURE (pbc=False)-- Species = Mg (Configuration in file "config-F-Mg.xyz") ----------------------------------------------------------------------------------------------------- Energy = 177.56932858560697 Forces: 1 -5.36232342e+00 -5.48231102e+00 -4.72493831e+00 2 -1.25071142e+01 5.80892464e+00 -2.22726386e+01 3 -1.16337418e+01 -1.55998160e+01 3.43456350e+00 4 -1.33150291e+01 1.06667496e+00 1.98264874e+00 5 1.13383068e+01 -2.08940133e+01 -1.16356562e+01 6 9.48663609e+00 -6.97011482e+00 -1.18008505e+01 7 8.80496359e+00 -1.02256731e+01 -3.55411446e+00 8 9.14693481e+00 5.80693408e+00 5.37581559e+00 9 -5.41998885e+00 8.34011522e-01 -7.16793802e+00 10 -1.53222624e+00 7.93014628e+00 -7.39713689e+00 11 -4.98509831e+00 4.28044010e+00 -2.43993238e+00 12 -7.07408400e+00 6.37657105e+00 -1.55983130e+00 13 4.03827699e-01 5.39587781e+00 -1.54602524e+01 14 5.21175130e+00 5.50701092e+00 -7.94546048e+00 15 1.49251244e+01 2.65216192e+00 3.94363215e+00 16 -4.60352436e+00 1.23780381e+01 -2.96662156e+00 17 -1.53738946e+01 -1.38295671e+01 -5.99981020e+00 18 3.68247254e+00 5.43753484e+00 -3.97645842e+00 19 2.20523400e+00 -1.72913711e+01 1.84762798e+01 20 -1.73437975e+01 9.07358974e+00 1.31359301e+01 21 4.64987253e+00 -1.88700328e+01 9.41254135e-01 22 8.27041107e+00 8.59549555e+00 -1.98414824e+00 23 8.35303637e+00 -1.06182217e+01 9.73415934e+00 24 3.11522479e+00 -2.16242024e+00 1.53758213e+01 25 -1.29687264e+01 -4.62160578e+00 -2.62934239e+00 26 7.18196488e+00 1.54032580e+01 -4.24373470e+00 27 -2.00262909e+00 6.85227142e+00 1.39823565e+01 28 -8.42210021e+00 6.96606165e+00 1.20142183e+01 29 2.65528829e+00 -2.59304254e+00 2.15063707e+00 30 1.44406783e+01 1.00475638e+01 6.08461098e+00 31 8.44907225e+00 2.24739973e+00 4.51190246e+00 32 2.23478439e-01 6.49822339e+00 6.61503495e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Mg (Configuration in file "config-T-Mg.xyz") ----------------------------------------------------------------------------------------------------- Energy = 177.56932858560697 Forces: 1 -5.36232342e+00 -5.48231102e+00 -4.72493831e+00 2 -1.25071142e+01 5.80892464e+00 -2.22726386e+01 3 -1.16337418e+01 -1.55998160e+01 3.43456350e+00 4 -1.33150291e+01 1.06667496e+00 1.98264874e+00 5 1.13383068e+01 -2.08940133e+01 -1.16356562e+01 6 9.48663609e+00 -6.97011482e+00 -1.18008505e+01 7 8.80496359e+00 -1.02256731e+01 -3.55411446e+00 8 9.14693481e+00 5.80693408e+00 5.37581559e+00 9 -5.41998885e+00 8.34011522e-01 -7.16793802e+00 10 -1.53222624e+00 7.93014628e+00 -7.39713689e+00 11 -4.98509831e+00 4.28044010e+00 -2.43993238e+00 12 -7.07408400e+00 6.37657105e+00 -1.55983130e+00 13 4.03827699e-01 5.39587781e+00 -1.54602524e+01 14 5.21175130e+00 5.50701092e+00 -7.94546048e+00 15 1.49251244e+01 2.65216192e+00 3.94363215e+00 16 -4.60352436e+00 1.23780381e+01 -2.96662156e+00 17 -1.53738946e+01 -1.38295671e+01 -5.99981020e+00 18 3.68247254e+00 5.43753484e+00 -3.97645842e+00 19 2.20523400e+00 -1.72913711e+01 1.84762798e+01 20 -1.73437975e+01 9.07358974e+00 1.31359301e+01 21 4.64987253e+00 -1.88700328e+01 9.41254135e-01 22 8.27041107e+00 8.59549555e+00 -1.98414824e+00 23 8.35303637e+00 -1.06182217e+01 9.73415934e+00 24 3.11522479e+00 -2.16242024e+00 1.53758213e+01 25 -1.29687264e+01 -4.62160578e+00 -2.62934239e+00 26 7.18196488e+00 1.54032580e+01 -4.24373470e+00 27 -2.00262909e+00 6.85227142e+00 1.39823565e+01 28 -8.42210021e+00 6.96606165e+00 1.20142183e+01 29 2.65528829e+00 -2.59304254e+00 2.15063707e+00 30 1.44406783e+01 1.00475638e+01 6.08461098e+00 31 8.44907225e+00 2.24739973e+00 4.51190246e+00 32 2.23478439e-01 6.49822339e+00 6.61503495e+00 MONOATOMIC STRUCTURE (pbc=False)-- Species = Zn (Configuration in file "config-F-Zn.xyz") ----------------------------------------------------------------------------------------------------- Energy = 359.93855567802314 Forces: 1 -2.17271088e+01 -9.18898790e+00 -3.55254446e+01 2 -5.47689868e+01 -4.64542367e+01 -5.44484105e+01 3 2.14410745e+01 -1.22442686e+01 2.45907719e+01 4 -3.88695188e+01 -2.06497796e+01 9.85799214e+00 5 -2.54383152e+01 -2.79872524e+01 -2.45570652e+01 6 4.42115543e+01 -1.11521985e+01 -3.94822825e+01 7 4.50213980e+01 -3.84488868e+01 -1.19412976e+01 8 2.65580513e+00 -3.32677421e+01 5.14594861e+01 9 -1.63471773e+01 -3.40747017e+00 -2.98542287e+01 10 2.70644514e+01 2.26528810e+01 -3.07026752e+01 11 3.34201619e+01 1.60404478e+00 1.77297870e+01 12 -4.43303057e+01 5.12992868e+01 1.63582613e+01 13 1.99134262e+01 4.76249656e+01 -6.02858849e+01 14 1.92544650e+01 2.97210781e+01 -3.05344955e+01 15 4.91962105e+01 2.57131799e+01 4.82768033e+01 16 -2.69379953e+01 1.40413481e+01 -3.92631918e+01 17 -1.39567943e+01 -3.05367993e+01 -2.44669776e+01 18 -1.56716465e+01 -2.22099692e+01 -3.47009046e+01 19 1.64944695e+01 -2.54363738e+01 2.41287060e+01 20 -3.02021516e+01 3.12270943e+01 2.27491739e+01 21 -4.13117561e+01 -2.72259226e+01 1.79613396e+01 22 2.83759675e+01 3.73940813e+01 -2.91015560e+01 23 2.38529307e+01 -4.07745098e+01 3.23691439e+01 24 -1.66156151e+01 -8.78262277e+00 4.04998905e+01 25 -2.79180706e+01 -1.61355286e+01 6.50111448e+00 26 -5.38028836e+01 5.99924362e+01 -3.20694879e+01 27 -5.16236919e+01 -2.47347965e+01 7.61838799e+01 28 -6.00027311e+00 1.97939954e+01 2.35187827e+01 29 1.91490894e+01 -4.75461581e+01 -3.95541984e+01 30 5.84935273e+01 3.51778618e+01 1.03178596e+01 31 5.03516609e+01 2.00366836e+01 4.07095814e+01 32 2.66260985e+01 4.99045664e+01 5.32755269e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Zn (Configuration in file "config-T-Zn.xyz") ----------------------------------------------------------------------------------------------------- Energy = 359.93855567802314 Forces: 1 -2.17271088e+01 -9.18898790e+00 -3.55254446e+01 2 -5.47689868e+01 -4.64542367e+01 -5.44484105e+01 3 2.14410745e+01 -1.22442686e+01 2.45907719e+01 4 -3.88695188e+01 -2.06497796e+01 9.85799214e+00 5 -2.54383152e+01 -2.79872524e+01 -2.45570652e+01 6 4.42115543e+01 -1.11521985e+01 -3.94822825e+01 7 4.50213980e+01 -3.84488868e+01 -1.19412976e+01 8 2.65580513e+00 -3.32677421e+01 5.14594861e+01 9 -1.63471773e+01 -3.40747017e+00 -2.98542287e+01 10 2.70644514e+01 2.26528810e+01 -3.07026752e+01 11 3.34201619e+01 1.60404478e+00 1.77297870e+01 12 -4.43303057e+01 5.12992868e+01 1.63582613e+01 13 1.99134262e+01 4.76249656e+01 -6.02858849e+01 14 1.92544650e+01 2.97210781e+01 -3.05344955e+01 15 4.91962105e+01 2.57131799e+01 4.82768033e+01 16 -2.69379953e+01 1.40413481e+01 -3.92631918e+01 17 -1.39567943e+01 -3.05367993e+01 -2.44669776e+01 18 -1.56716465e+01 -2.22099692e+01 -3.47009046e+01 19 1.64944695e+01 -2.54363738e+01 2.41287060e+01 20 -3.02021516e+01 3.12270943e+01 2.27491739e+01 21 -4.13117561e+01 -2.72259226e+01 1.79613396e+01 22 2.83759675e+01 3.73940813e+01 -2.91015560e+01 23 2.38529307e+01 -4.07745098e+01 3.23691439e+01 24 -1.66156151e+01 -8.78262277e+00 4.04998905e+01 25 -2.79180706e+01 -1.61355286e+01 6.50111448e+00 26 -5.38028836e+01 5.99924362e+01 -3.20694879e+01 27 -5.16236919e+01 -2.47347965e+01 7.61838799e+01 28 -6.00027311e+00 1.97939954e+01 2.35187827e+01 29 1.91490894e+01 -4.75461581e+01 -3.95541984e+01 30 5.84935273e+01 3.51778618e+01 1.03178596e+01 31 5.03516609e+01 2.00366836e+01 4.07095814e+01 32 2.66260985e+01 4.99045664e+01 5.32755269e+01 MIXED STRUCTURE (pbc=False)-- Species = Al Mg Zn (Configuration in file "config-F-AlMgZn.xyz") ----------------------------------------------------------------------------------------------------- Energy = 153.73950687755584 Forces: 1 -1.43650529e+01 -2.55418544e+01 -3.43268935e+01 2 -1.10327680e+01 4.63139831e+00 -1.83401052e+01 3 3.02360007e+01 -3.82419631e+01 -1.29657954e+01 4 -2.51815337e+01 4.01577397e+01 1.40092623e+01 5 -7.04845563e+00 -1.58115336e+01 -1.25770687e+01 6 1.15281198e+01 1.13085056e+01 -1.48994291e+01 7 2.43472091e+01 -2.51611802e+01 1.63649294e+01 8 3.85086071e+01 1.65240107e+01 -2.21797265e+01 9 -6.82333122e+00 5.93922592e-02 -9.10593467e+00 10 -1.27176229e+01 1.63511688e+01 -4.70053688e+00 11 -1.20263450e+01 1.99897262e+01 -8.76802936e+00 12 -2.56252192e+00 9.49393191e+00 -1.02633390e+00 13 6.64397249e+00 -1.83741715e+01 -1.04134031e+01 14 5.45688361e+00 8.73300311e+00 -4.19450937e+00 15 3.60530256e+00 -6.90933778e+00 -8.45085516e+00 16 1.73057759e+00 8.92779200e+00 -8.12393763e+00 17 -4.07847615e+01 -1.56735252e+01 9.77203567e+00 18 -2.11479621e+01 2.96489072e+01 3.47193387e+01 19 3.16981712e+00 -1.23808657e+01 2.82560313e+01 20 -9.31499034e+00 -4.66962680e+00 6.04734749e+00 21 1.85890783e+01 -2.66524719e+01 -5.88754813e+00 22 1.77281988e+01 5.46471103e+00 -1.38147258e+01 23 1.78846821e+00 -3.53747665e+00 6.89852716e+00 24 -6.06562389e+00 6.66924528e+00 2.07290487e+01 25 -2.62639097e+01 -2.88837833e+00 -1.19027510e+01 26 -1.59555292e+01 2.35855721e+01 -3.03766193e+01 27 2.49471446e+01 -2.00992791e+01 3.57705937e+01 28 -2.09460466e+01 1.91183109e+01 5.30616889e+00 29 1.08578528e+01 -3.44808197e+01 4.08138865e+00 30 1.46531550e+01 1.49409021e+01 1.93550858e+01 31 7.49386184e-01 -1.57273822e+00 4.46482040e+00 32 1.76966807e+01 1.63909048e+01 2.62796246e+01 MIXED STRUCTURE (pbc=True)-- Species = Al Mg Zn (Configuration in file "config-T-AlMgZn.xyz") ----------------------------------------------------------------------------------------------------- Energy = 229.30458812765377 Forces: 1 2.70853821e+00 -9.01598925e+00 -3.86996876e+01 2 -9.19008293e+00 5.08489385e+00 -1.49520241e+01 3 2.81902670e+01 -3.94790342e+01 -1.43411102e+01 4 -1.44656380e+01 3.68041415e+01 1.22272938e+01 5 -1.05120405e+00 -2.04638475e+00 7.70659237e-01 6 3.88992637e+00 1.52217953e+01 -3.11132939e+00 7 9.52709122e+00 -4.31185180e-01 4.04436647e+01 8 3.74022754e+01 1.66931312e+01 -1.91447032e+01 9 -6.08896469e+00 2.90178949e+00 2.91582007e-01 10 -2.43763903e+01 1.45824741e+01 -1.47151827e-01 11 -1.02989980e+01 1.61345772e+01 -8.67375930e+00 12 -3.87152660e+00 -1.69217024e+01 1.03197255e+01 13 8.82731559e+00 -2.66214001e+01 -8.04735701e+00 14 -1.22923065e+01 -2.04664322e+01 -1.46817550e+01 15 -3.92297965e+00 -1.10999918e+01 -6.75229923e+00 16 8.84154556e+00 -2.91472293e+00 -1.15624038e+01 17 -4.22303871e+01 -1.03701505e+01 1.04751901e+01 18 -2.27763971e+01 5.31674882e+01 3.57185323e+01 19 8.79838438e+00 -1.97071281e+01 2.87956259e+01 20 7.24767803e+00 -2.46058647e+00 -9.67260748e+00 21 2.14660936e+01 -2.59029518e+01 -8.48102940e+00 22 7.85820213e+00 1.08118160e+01 -1.15576690e+01 23 -4.58406510e+00 -6.12845872e+00 6.90932303e-01 24 -7.47065307e+00 2.03835154e+01 2.53212958e+00 25 -1.62403042e+01 -7.74240287e+00 -1.33778660e+01 26 -9.90994752e+00 1.27243571e+01 -2.80024722e+01 27 4.14073447e+01 -2.63440727e+01 2.16588902e+01 28 -2.36164230e+01 2.20498461e+01 -2.49700211e+00 29 1.08635843e+01 -3.52860994e+01 3.72374186e+00 30 4.76795170e+00 3.39650427e+01 1.20415033e+01 31 -7.62020272e+00 -2.32554957e+00 1.23452281e+01 32 1.82102723e+01 4.73937470e+00 2.16675282e+01 ERROR: Unable to perform verification check. Message = [Errno 12] Cannot allocate memory === Verification check vc-memory-leak end (2022-11-29 20:36:38) ===