Enter a model name: === Verification check vc-memory-leak start (2022-11-29 18:44:50) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_KimKimJung_2017_NiAlTi__MO_478967255435_001 Supported species : Al 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 = 81.72794737182888 Forces: 1 -4.14383657e+00 -9.14143527e+00 -9.45256595e+00 2 -4.45266030e+00 6.28396479e+00 -9.56192445e+00 3 4.38365992e+00 -1.65623396e+01 -7.07411920e+00 4 -1.04069670e+01 6.74890864e+00 3.14907805e+00 5 -1.75363378e+00 -1.53625023e+01 -3.97830401e+00 6 1.03081227e+01 5.44449435e+00 -1.06311083e+01 7 5.74578352e+00 -2.49827755e+01 -1.74281719e+01 8 -9.58145040e+00 -8.82057405e+00 -2.35460565e+00 9 -9.50698550e+00 -7.47403507e+00 -1.52537788e+01 10 -8.15833052e+00 2.22153309e+01 -2.78277056e+01 11 -6.00347619e+00 -1.83447698e+01 2.37123008e+00 12 -1.21482154e+01 1.60139301e+01 2.28443945e+00 13 -2.23420794e+00 -7.32804018e+00 -3.22320623e+01 14 7.71531867e+00 1.04174294e+01 -7.25562353e+00 15 2.95497637e+01 -6.47554902e+00 5.09154684e+00 16 1.32094636e+01 2.12288593e+01 1.27994174e+01 17 -1.50968475e+01 -8.69393635e+00 -3.78681585e+00 18 4.42846721e+00 9.48669189e+00 8.22373614e+00 19 6.80882335e+00 -9.16841553e+00 9.07237118e+00 20 -6.64260649e+00 8.15849073e+00 8.46207680e+00 21 -1.24293363e+01 -1.49762947e+01 4.34625239e+00 22 2.33064756e+01 2.15841615e+01 1.72635935e+01 23 1.21812674e+01 -7.39593558e+00 7.20676580e+00 24 -7.97780229e+00 8.13168361e+00 8.49534474e+00 25 -1.14267256e+01 -6.52042404e+00 5.71012491e+00 26 -6.55273370e+00 1.84225824e+01 -3.84545173e+00 27 9.42523398e+00 -2.96087610e+01 1.11535080e+01 28 -2.49373135e+01 2.16865499e+01 8.44888674e+00 29 -5.01348722e+00 -8.00737054e+00 5.68585758e+00 30 9.28678084e+00 1.45595260e+01 3.86335789e+00 31 1.44980667e+01 -7.39796900e+00 1.05637649e+01 32 7.61938899e+00 1.58785239e+01 1.64908849e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Al (Configuration in file "config-T-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 81.72794737182888 Forces: 1 -4.14383657e+00 -9.14143527e+00 -9.45256595e+00 2 -4.45266030e+00 6.28396479e+00 -9.56192445e+00 3 4.38365992e+00 -1.65623396e+01 -7.07411920e+00 4 -1.04069670e+01 6.74890864e+00 3.14907805e+00 5 -1.75363378e+00 -1.53625023e+01 -3.97830401e+00 6 1.03081227e+01 5.44449435e+00 -1.06311083e+01 7 5.74578352e+00 -2.49827755e+01 -1.74281719e+01 8 -9.58145040e+00 -8.82057405e+00 -2.35460565e+00 9 -9.50698550e+00 -7.47403507e+00 -1.52537788e+01 10 -8.15833052e+00 2.22153309e+01 -2.78277056e+01 11 -6.00347619e+00 -1.83447698e+01 2.37123008e+00 12 -1.21482154e+01 1.60139301e+01 2.28443945e+00 13 -2.23420794e+00 -7.32804018e+00 -3.22320623e+01 14 7.71531867e+00 1.04174294e+01 -7.25562353e+00 15 2.95497637e+01 -6.47554902e+00 5.09154684e+00 16 1.32094636e+01 2.12288593e+01 1.27994174e+01 17 -1.50968475e+01 -8.69393635e+00 -3.78681585e+00 18 4.42846721e+00 9.48669189e+00 8.22373614e+00 19 6.80882335e+00 -9.16841553e+00 9.07237118e+00 20 -6.64260649e+00 8.15849073e+00 8.46207680e+00 21 -1.24293363e+01 -1.49762947e+01 4.34625239e+00 22 2.33064756e+01 2.15841615e+01 1.72635935e+01 23 1.21812674e+01 -7.39593558e+00 7.20676580e+00 24 -7.97780229e+00 8.13168361e+00 8.49534474e+00 25 -1.14267256e+01 -6.52042404e+00 5.71012491e+00 26 -6.55273370e+00 1.84225824e+01 -3.84545173e+00 27 9.42523398e+00 -2.96087610e+01 1.11535080e+01 28 -2.49373135e+01 2.16865499e+01 8.44888674e+00 29 -5.01348722e+00 -8.00737054e+00 5.68585758e+00 30 9.28678084e+00 1.45595260e+01 3.86335789e+00 31 1.44980667e+01 -7.39796900e+00 1.05637649e+01 32 7.61938899e+00 1.58785239e+01 1.64908849e+01 MONOATOMIC STRUCTURE (pbc=False)-- Species = Ni (Configuration in file "config-F-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = -11.67358405024633 Forces: 1 -3.60091530e+00 -1.51361224e+00 -6.16515502e+00 2 -2.60582838e-01 -2.11868695e+00 -6.68702962e+00 3 -4.13151943e+00 -4.50272196e+00 -7.03209082e+00 4 -5.84159114e+00 9.72471543e+00 -5.15158299e+00 5 -3.13279719e+00 -2.41466868e+01 -2.11528381e+01 6 2.75321738e+00 3.32027882e-01 -3.53220406e+00 7 5.14185953e+00 -1.25130049e+01 -6.38381265e+00 8 3.36583889e+00 2.43769366e+01 2.13262607e+01 9 -7.40528287e+00 2.78554480e+00 -1.06813382e+00 10 -1.95790769e+00 4.85768556e+00 -9.70859210e+00 11 -2.16324999e+00 -1.10974119e+01 8.17187077e+00 12 -7.36924531e+00 4.34567632e+00 1.91149633e+00 13 -1.62169878e+01 -1.65584626e+01 -2.25401107e+01 14 2.61803762e+01 3.45723231e+01 -2.43602193e+01 15 1.00127473e+01 -3.69082557e+01 2.23520512e+01 16 -8.42506393e+00 1.81732959e+01 1.18668149e+01 17 -4.38440969e+00 -5.78179504e+00 8.05242474e+00 18 -1.24904566e+01 -2.69876760e+01 -2.35594757e+01 19 -4.19174935e+00 -1.32213909e+00 2.68405603e+00 20 -2.08723265e+00 -7.17938387e+00 5.76383026e+00 21 1.48802943e+01 -3.67836164e+00 7.16071086e+00 22 8.43174755e-01 6.45695587e+00 8.47849850e+00 23 4.99668453e-01 -7.42228630e-01 1.01970785e+00 24 1.77204444e+01 -2.64668063e+01 2.26982970e+01 25 -1.44816351e+01 -4.45467518e+00 -1.89615396e+01 26 8.48047131e+00 9.88326409e+00 -4.42006711e+00 27 -1.68272042e+01 2.90782860e+01 3.46228761e+01 28 -8.18078918e+00 1.07481613e+01 1.18877979e+01 29 -5.12423621e-01 1.25572523e+01 -4.32227116e+01 30 8.09594368e+00 1.80959936e+01 6.61069843e+00 31 2.89915611e+01 -3.96579392e+00 2.75852853e+01 32 -3.30455339e+00 3.94958394e+00 1.75288643e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ni (Configuration in file "config-T-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = -11.67358405024633 Forces: 1 -3.60091530e+00 -1.51361224e+00 -6.16515502e+00 2 -2.60582838e-01 -2.11868695e+00 -6.68702962e+00 3 -4.13151943e+00 -4.50272196e+00 -7.03209082e+00 4 -5.84159114e+00 9.72471543e+00 -5.15158299e+00 5 -3.13279719e+00 -2.41466868e+01 -2.11528381e+01 6 2.75321738e+00 3.32027882e-01 -3.53220406e+00 7 5.14185953e+00 -1.25130049e+01 -6.38381265e+00 8 3.36583889e+00 2.43769366e+01 2.13262607e+01 9 -7.40528287e+00 2.78554480e+00 -1.06813382e+00 10 -1.95790769e+00 4.85768556e+00 -9.70859210e+00 11 -2.16324999e+00 -1.10974119e+01 8.17187077e+00 12 -7.36924531e+00 4.34567632e+00 1.91149633e+00 13 -1.62169878e+01 -1.65584626e+01 -2.25401107e+01 14 2.61803762e+01 3.45723231e+01 -2.43602193e+01 15 1.00127473e+01 -3.69082557e+01 2.23520512e+01 16 -8.42506393e+00 1.81732959e+01 1.18668149e+01 17 -4.38440969e+00 -5.78179504e+00 8.05242474e+00 18 -1.24904566e+01 -2.69876760e+01 -2.35594757e+01 19 -4.19174935e+00 -1.32213909e+00 2.68405603e+00 20 -2.08723265e+00 -7.17938387e+00 5.76383026e+00 21 1.48802943e+01 -3.67836164e+00 7.16071086e+00 22 8.43174755e-01 6.45695587e+00 8.47849850e+00 23 4.99668453e-01 -7.42228630e-01 1.01970785e+00 24 1.77204444e+01 -2.64668063e+01 2.26982970e+01 25 -1.44816351e+01 -4.45467518e+00 -1.89615396e+01 26 8.48047131e+00 9.88326409e+00 -4.42006711e+00 27 -1.68272042e+01 2.90782860e+01 3.46228761e+01 28 -8.18078918e+00 1.07481613e+01 1.18877979e+01 29 -5.12423621e-01 1.25572523e+01 -4.32227116e+01 30 8.09594368e+00 1.80959936e+01 6.61069843e+00 31 2.89915611e+01 -3.96579392e+00 2.75852853e+01 32 -3.30455339e+00 3.94958394e+00 1.75288643e+00 MONOATOMIC STRUCTURE (pbc=False)-- Species = Ti (Configuration in file "config-F-Ti.xyz") ----------------------------------------------------------------------------------------------------- Energy = 96.13214284473632 Forces: 1 -3.78237386e+00 -7.62303174e+00 -4.92761760e+00 2 -3.88410819e+00 1.95228735e+00 -1.68642071e+01 3 -1.51711167e+01 -1.77686554e+01 -5.17260028e+00 4 -8.86038087e+00 -1.96814899e+01 1.04157478e+01 5 -7.59100914e+00 -1.04569208e+01 -1.35308196e+01 6 1.73572110e+01 -1.30425609e+01 -2.40368718e+01 7 1.73662844e+01 -1.16103756e+01 1.67052420e+00 8 -2.58717577e+00 -9.49161577e+00 5.70284230e+00 9 -6.47588961e+00 1.60678893e+01 -1.99002245e+01 10 -9.88572091e-01 6.87594860e+00 -1.12058140e+01 11 3.98911612e+00 -8.56440331e+00 -1.35279145e+01 12 -1.91197935e+01 2.06091099e+01 -6.35464105e+00 13 -1.39721277e+01 1.22304567e+01 -1.94444420e+01 14 1.09951724e+01 1.49678682e+01 -1.10425069e+01 15 2.38120074e+01 6.52364404e+00 1.28695416e+01 16 -3.65877918e+00 1.53486303e+01 -3.50089748e+00 17 -9.71650199e+00 -8.19313622e+00 -2.77581318e-01 18 -1.07384753e+01 -8.26640368e+00 2.02478816e+00 19 -7.80548749e-01 -9.77887702e+00 7.66423190e+00 20 -6.24353839e+00 -1.60550171e+00 7.88513703e+00 21 1.09740674e+01 -8.86524074e+00 1.44197237e+01 22 1.26267194e+01 -3.46860981e+00 -5.78824397e+00 23 5.11498618e+00 -9.17924749e+00 9.53057284e+00 24 3.02949018e+00 -1.59446882e+00 1.29969213e+01 25 -1.72081187e+01 5.64096099e-01 8.89436673e+00 26 6.91014524e+00 2.50775331e+01 -2.84250170e+00 27 -3.72391726e+00 -1.27523004e+01 2.27282306e+01 28 -1.22338971e+01 7.99420043e+00 7.66792826e+00 29 5.59815268e+00 7.04732274e+00 4.01086043e+00 30 1.47404804e+01 1.12053623e+01 4.02150929e+00 31 8.83856710e+00 3.77014417e+00 1.63723816e+01 32 5.38392416e+00 1.17083461e+01 9.54157588e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ti (Configuration in file "config-T-Ti.xyz") ----------------------------------------------------------------------------------------------------- Energy = 96.13214284473632 Forces: 1 -3.78237386e+00 -7.62303174e+00 -4.92761760e+00 2 -3.88410819e+00 1.95228735e+00 -1.68642071e+01 3 -1.51711167e+01 -1.77686554e+01 -5.17260028e+00 4 -8.86038087e+00 -1.96814899e+01 1.04157478e+01 5 -7.59100914e+00 -1.04569208e+01 -1.35308196e+01 6 1.73572110e+01 -1.30425609e+01 -2.40368718e+01 7 1.73662844e+01 -1.16103756e+01 1.67052420e+00 8 -2.58717577e+00 -9.49161577e+00 5.70284230e+00 9 -6.47588961e+00 1.60678893e+01 -1.99002245e+01 10 -9.88572091e-01 6.87594860e+00 -1.12058140e+01 11 3.98911612e+00 -8.56440331e+00 -1.35279145e+01 12 -1.91197935e+01 2.06091099e+01 -6.35464105e+00 13 -1.39721277e+01 1.22304567e+01 -1.94444420e+01 14 1.09951724e+01 1.49678682e+01 -1.10425069e+01 15 2.38120074e+01 6.52364404e+00 1.28695416e+01 16 -3.65877918e+00 1.53486303e+01 -3.50089748e+00 17 -9.71650199e+00 -8.19313622e+00 -2.77581318e-01 18 -1.07384753e+01 -8.26640368e+00 2.02478816e+00 19 -7.80548749e-01 -9.77887702e+00 7.66423190e+00 20 -6.24353839e+00 -1.60550171e+00 7.88513703e+00 21 1.09740674e+01 -8.86524074e+00 1.44197237e+01 22 1.26267194e+01 -3.46860981e+00 -5.78824397e+00 23 5.11498618e+00 -9.17924749e+00 9.53057284e+00 24 3.02949018e+00 -1.59446882e+00 1.29969213e+01 25 -1.72081187e+01 5.64096099e-01 8.89436673e+00 26 6.91014524e+00 2.50775331e+01 -2.84250170e+00 27 -3.72391726e+00 -1.27523004e+01 2.27282306e+01 28 -1.22338971e+01 7.99420043e+00 7.66792826e+00 29 5.59815268e+00 7.04732274e+00 4.01086043e+00 30 1.47404804e+01 1.12053623e+01 4.02150929e+00 31 8.83856710e+00 3.77014417e+00 1.63723816e+01 32 5.38392416e+00 1.17083461e+01 9.54157588e+00 MIXED STRUCTURE (pbc=False)-- Species = Al Ni Ti (Configuration in file "config-F-AlNiTi.xyz") ----------------------------------------------------------------------------------------------------- Energy = 76.9572178484848 Forces: 1 -1.33778948e+01 -1.09780912e+01 -1.63562643e+01 2 1.71931976e+00 5.52099360e+00 -1.62619459e+01 3 7.50553051e+00 -1.59911214e+01 7.37613409e+00 4 -1.46370026e+01 -5.52515659e-01 2.14887012e+01 5 5.31059435e+00 -3.28742696e+01 -2.50698940e+01 6 1.70234072e+01 3.74511170e+00 -1.35282892e+01 7 3.10724016e+01 -2.64518630e+01 -1.94563039e+01 8 -1.97638096e+01 1.78956974e+01 1.36542472e+01 9 -1.19162282e+01 9.04681634e+00 -2.44523534e+01 10 3.97730596e+00 6.78197386e+00 -7.48688922e+00 11 2.06459722e+01 -4.96383235e+00 -1.02967629e+01 12 -4.01631745e+01 2.23884982e+01 -2.75769515e+01 13 -1.17124041e+01 -9.14921954e+00 -1.33249907e+01 14 2.14227477e+01 9.87313703e+00 -8.77687384e+00 15 1.85987703e+01 1.54393832e+01 -1.31208013e+01 16 -7.92692373e+00 1.16838200e+01 9.12660947e+00 17 -1.11033763e+01 -1.53452800e+01 1.35117764e+00 18 1.81801994e+01 -1.22257446e+01 -1.67606083e+01 19 -5.10497853e-01 -8.48334230e+00 3.18057909e+00 20 -2.85502562e+01 -8.27312957e+00 2.54816057e+01 21 -2.73999060e+01 -9.61208616e+00 1.82184906e+01 22 1.51124918e+01 4.83280424e+00 1.42778085e+01 23 4.86413942e+00 -7.52825208e+00 1.19571419e+01 24 2.08257807e+01 -1.58094129e+01 4.96525088e+00 25 -3.59384180e+01 -3.38814847e+01 -8.54556694e-01 26 4.24598502e+01 3.29116281e+01 8.15177733e+00 27 -3.13811689e+00 2.54333558e+01 2.34601012e+01 28 -1.36554006e+01 2.30934228e+01 2.90935521e+01 29 1.14016952e+00 7.16035541e+00 5.43553734e+00 30 4.76900059e+00 1.10147635e+01 1.84163080e+00 31 1.09919125e+00 1.04310825e+00 8.52758699e+00 32 4.06653703e+00 4.25477565e+00 5.73555290e+00 MIXED STRUCTURE (pbc=True)-- Species = Al Ni Ti (Configuration in file "config-T-AlNiTi.xyz") ----------------------------------------------------------------------------------------------------- Energy = 169.03056257379993 Forces: 1 -9.48381416e+00 -8.76166944e+00 -1.43932255e+01 2 -4.51656845e+00 4.39771820e+00 8.50894895e+00 3 1.26201290e+01 1.69353401e+00 7.59098241e+00 4 -2.79404343e+00 3.87991169e+00 2.21633363e+01 5 5.57165835e+00 -2.39158684e+01 -2.72039870e+01 6 -1.22438289e+01 5.11409722e+00 -4.71978286e+00 7 5.97616569e-01 1.10109127e+00 -4.10779491e+01 8 -2.08166396e+01 1.98818005e+01 1.44060055e+01 9 -1.57922737e+00 1.58123214e+01 2.62835365e+00 10 1.06034965e+01 -1.04908445e+01 -4.37703756e+00 11 1.96401646e+01 -2.72711154e+00 -1.00765914e+01 12 -2.00951949e+01 -1.03349567e+01 -4.04725346e+01 13 -4.62996767e+00 -4.99119948e+00 -4.05418193e+00 14 1.70143049e+01 8.34863769e+00 -7.59306791e+00 15 1.23168746e+01 1.37418168e+01 -1.27787513e+01 16 -1.06140483e+01 -3.24579935e+00 1.49963679e+01 17 -1.33364045e+00 4.36991568e+01 5.36710423e+00 18 2.02333287e+01 -1.10641219e+01 -1.48008390e+01 19 -1.03202251e+00 -5.91919019e+00 -1.18385168e+01 20 -5.71561105e+00 -1.52033482e+01 9.45495669e+00 21 -3.06525483e+01 8.80264987e-01 1.68986494e+01 22 2.55989966e-01 7.39473871e+00 9.17310348e+00 23 -6.26206190e+00 -3.12739811e+00 2.36254191e+01 24 2.45226188e+01 -1.17493680e+01 -9.18688773e+00 25 -2.14634613e+01 -3.50207118e+01 -4.44435004e+00 26 6.63583816e+01 -5.30475674e+00 1.08474562e+01 27 -9.63563129e-01 2.59792948e+01 4.55694603e+00 28 5.46832826e+00 6.92899864e+00 4.76964308e+01 29 6.24293572e-01 7.19845442e+00 4.45256929e+00 30 -2.17747538e+01 -1.79679109e+01 5.34944053e-01 31 -2.19443911e+01 4.99663835e+00 -1.97411230e+00 32 2.08820081e+00 -1.22422030e+00 6.09024097e+00 ERROR: Unable to perform verification check. Message = Failed to run valgrind; check that it is installed. === Verification check vc-memory-leak end (2022-11-29 18:45:33) ===