Enter a model name: === Verification check vc-memory-leak start (2022-11-29 18:45:43) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_KimSeolJi_2017_PtTi__MO_280985530673_001 Supported species : Pt Ti random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Pt (Configuration in file "config-F-Pt.xyz") ----------------------------------------------------------------------------------------------------- Energy = 464.78482119988075 Forces: 1 -1.04757537e+01 -3.01427084e+01 -3.18666088e+01 2 -2.59499945e+01 2.62613174e+01 -3.43120291e+01 3 2.39023760e+01 -4.41213092e+01 -2.09018248e+01 4 -3.47058595e+01 3.36088923e+01 1.99623632e+01 5 1.63091910e+01 -7.07185841e+01 -1.82417512e+01 6 4.27436680e+01 -2.77175966e+00 -3.45314770e+01 7 2.36293779e+01 -1.30945517e+02 -1.03601021e+02 8 -8.81067237e+01 -8.59432272e+01 3.40152124e+01 9 -5.95002500e+01 -2.59474968e+01 -7.30536573e+01 10 -2.17240371e+01 8.16839989e+01 -1.13043330e+02 11 -2.59282069e+01 -6.80389438e+01 5.82018347e+01 12 -4.60281637e+01 4.41370852e+01 2.54385350e+01 13 -1.00697818e+02 -3.15693178e+00 -2.68487142e+02 14 3.41021130e+01 4.73643162e+01 -4.06567727e+01 15 2.43046392e+02 2.51348606e+01 1.74663715e+02 16 2.68201840e+01 8.89872107e+01 5.16655494e+01 17 -7.10173807e+01 -4.37888086e+01 -1.84231284e+01 18 2.41839472e+01 5.82852578e+01 -2.09934920e+01 19 3.30052295e+01 -5.82139291e+01 4.30226686e+01 20 -3.35786339e+01 2.59729984e+01 4.51268740e+01 21 -5.82183308e+01 -4.88349219e+01 3.40845719e+01 22 7.54299255e+01 9.76398709e+01 7.00994200e+01 23 1.89323348e+01 -9.67014415e+00 2.49781792e+01 24 1.14654870e+01 1.08984264e+01 2.68911024e+01 25 -6.06580702e+01 -4.41672143e+01 -5.18036582e+01 26 -2.79365244e+01 9.04240485e+01 -4.90130813e+01 27 7.91428745e+01 -1.52257543e+02 7.03406867e+01 28 -1.27465689e+02 1.31430894e+02 3.76365984e+01 29 -3.51042955e+01 -5.47703015e+01 9.32095204e+00 30 5.87738460e+01 7.48169585e+01 2.97150417e+01 31 6.61526896e+01 -3.11756321e+01 4.73081326e+01 32 4.94560958e+01 6.80188364e+01 7.64575373e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Pt (Configuration in file "config-T-Pt.xyz") ----------------------------------------------------------------------------------------------------- Energy = 464.78482119988075 Forces: 1 -1.04757537e+01 -3.01427084e+01 -3.18666088e+01 2 -2.59499945e+01 2.62613174e+01 -3.43120291e+01 3 2.39023760e+01 -4.41213092e+01 -2.09018248e+01 4 -3.47058595e+01 3.36088923e+01 1.99623632e+01 5 1.63091910e+01 -7.07185841e+01 -1.82417512e+01 6 4.27436680e+01 -2.77175966e+00 -3.45314770e+01 7 2.36293779e+01 -1.30945517e+02 -1.03601021e+02 8 -8.81067237e+01 -8.59432272e+01 3.40152124e+01 9 -5.95002500e+01 -2.59474968e+01 -7.30536573e+01 10 -2.17240371e+01 8.16839989e+01 -1.13043330e+02 11 -2.59282069e+01 -6.80389438e+01 5.82018347e+01 12 -4.60281637e+01 4.41370852e+01 2.54385350e+01 13 -1.00697818e+02 -3.15693178e+00 -2.68487142e+02 14 3.41021130e+01 4.73643162e+01 -4.06567727e+01 15 2.43046392e+02 2.51348606e+01 1.74663715e+02 16 2.68201840e+01 8.89872107e+01 5.16655494e+01 17 -7.10173807e+01 -4.37888086e+01 -1.84231284e+01 18 2.41839472e+01 5.82852578e+01 -2.09934920e+01 19 3.30052295e+01 -5.82139291e+01 4.30226686e+01 20 -3.35786339e+01 2.59729984e+01 4.51268740e+01 21 -5.82183308e+01 -4.88349219e+01 3.40845719e+01 22 7.54299255e+01 9.76398709e+01 7.00994200e+01 23 1.89323348e+01 -9.67014415e+00 2.49781792e+01 24 1.14654870e+01 1.08984264e+01 2.68911024e+01 25 -6.06580702e+01 -4.41672143e+01 -5.18036582e+01 26 -2.79365244e+01 9.04240485e+01 -4.90130813e+01 27 7.91428745e+01 -1.52257543e+02 7.03406867e+01 28 -1.27465689e+02 1.31430894e+02 3.76365984e+01 29 -3.51042955e+01 -5.47703015e+01 9.32095204e+00 30 5.87738460e+01 7.48169585e+01 2.97150417e+01 31 6.61526896e+01 -3.11756321e+01 4.73081326e+01 32 4.94560958e+01 6.80188364e+01 7.64575373e+01 MONOATOMIC STRUCTURE (pbc=False)-- Species = Ti (Configuration in file "config-F-Ti.xyz") ----------------------------------------------------------------------------------------------------- Energy = 87.98757874972645 Forces: 1 -9.60880714e+00 -8.57443531e+00 -8.20928328e+00 2 -8.79176684e+00 -6.26123854e+00 -2.74999693e+01 3 -4.23582756e-01 -1.29881794e+01 -2.17233961e+00 4 -2.00793352e+01 -2.01473394e+00 6.01984704e+00 5 2.48791667e+00 -1.67269796e+01 -1.46408743e+01 6 1.01988617e+01 1.15358554e+00 -8.77621957e+00 7 9.25694670e+00 -7.27999738e+00 -9.95778566e-02 8 1.47014643e+01 -1.05373606e+01 8.96690016e+00 9 -1.15647876e+01 3.77576997e+00 -1.08279620e+01 10 -1.50277771e+01 2.45354538e+01 -9.36488304e+00 11 -7.86037757e+00 1.22183329e+01 1.48450624e+00 12 -1.66556737e+01 1.99510426e+01 -2.48314491e+01 13 1.47260165e+01 -1.04779082e+01 -2.16786926e+01 14 1.22492722e+01 4.70742353e+00 -1.33537338e+01 15 1.53599677e+01 4.20070741e-01 2.91603236e+00 16 -1.08114670e+00 1.57134155e+01 9.58138203e+00 17 -1.79627153e+01 -8.14996416e+00 -8.92154121e+00 18 2.61094438e-01 -9.34077691e+00 3.81701087e+00 19 1.17413808e+01 -1.24067528e+01 1.37221361e+01 20 -1.59802563e+01 3.51304549e+00 1.32063778e+01 21 4.61881413e+00 -8.89002317e+00 7.00320534e+00 22 1.03950952e+01 -4.91911572e+00 -5.55339121e+00 23 3.11426321e+00 -3.32847953e+00 2.94583957e+00 24 1.73479854e+00 -5.02832115e+00 1.18377981e+01 25 -2.09845764e+01 -1.99529238e+01 9.88676056e+00 26 1.78290506e+01 1.72763278e+01 6.97895487e+00 27 2.75679296e+00 5.28483188e+00 1.36472156e+01 28 -1.27086156e+01 9.60880183e+00 1.49479530e+01 29 1.61635057e+01 1.29946447e+01 1.52616336e+01 30 1.22642945e+01 5.04509533e+00 -6.49805648e+00 31 5.31497885e+00 4.05171905e+00 9.08053409e+00 32 -6.44509635e+00 6.62762957e+00 1.11238859e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ti (Configuration in file "config-T-Ti.xyz") ----------------------------------------------------------------------------------------------------- Energy = 87.98757874972645 Forces: 1 -9.60880714e+00 -8.57443531e+00 -8.20928328e+00 2 -8.79176684e+00 -6.26123854e+00 -2.74999693e+01 3 -4.23582756e-01 -1.29881794e+01 -2.17233961e+00 4 -2.00793352e+01 -2.01473394e+00 6.01984704e+00 5 2.48791667e+00 -1.67269796e+01 -1.46408743e+01 6 1.01988617e+01 1.15358554e+00 -8.77621957e+00 7 9.25694670e+00 -7.27999738e+00 -9.95778566e-02 8 1.47014643e+01 -1.05373606e+01 8.96690016e+00 9 -1.15647876e+01 3.77576997e+00 -1.08279620e+01 10 -1.50277771e+01 2.45354538e+01 -9.36488304e+00 11 -7.86037757e+00 1.22183329e+01 1.48450624e+00 12 -1.66556737e+01 1.99510426e+01 -2.48314491e+01 13 1.47260165e+01 -1.04779082e+01 -2.16786926e+01 14 1.22492722e+01 4.70742353e+00 -1.33537338e+01 15 1.53599677e+01 4.20070741e-01 2.91603236e+00 16 -1.08114670e+00 1.57134155e+01 9.58138203e+00 17 -1.79627153e+01 -8.14996416e+00 -8.92154121e+00 18 2.61094438e-01 -9.34077691e+00 3.81701087e+00 19 1.17413808e+01 -1.24067528e+01 1.37221361e+01 20 -1.59802563e+01 3.51304549e+00 1.32063778e+01 21 4.61881413e+00 -8.89002317e+00 7.00320534e+00 22 1.03950952e+01 -4.91911572e+00 -5.55339121e+00 23 3.11426321e+00 -3.32847953e+00 2.94583957e+00 24 1.73479854e+00 -5.02832115e+00 1.18377981e+01 25 -2.09845764e+01 -1.99529238e+01 9.88676056e+00 26 1.78290506e+01 1.72763278e+01 6.97895487e+00 27 2.75679296e+00 5.28483188e+00 1.36472156e+01 28 -1.27086156e+01 9.60880183e+00 1.49479530e+01 29 1.61635057e+01 1.29946447e+01 1.52616336e+01 30 1.22642945e+01 5.04509533e+00 -6.49805648e+00 31 5.31497885e+00 4.05171905e+00 9.08053409e+00 32 -6.44509635e+00 6.62762957e+00 1.11238859e+01 MIXED STRUCTURE (pbc=False)-- Species = Pt Ti (Configuration in file "config-F-PtTi.xyz") ----------------------------------------------------------------------------------------------------- Energy = 349.021541867306 Forces: 1 -3.48550925e+01 -3.84372912e+01 -2.91391293e+01 2 4.38254349e+00 1.16771655e+01 -3.38225648e+01 3 -1.98552946e+00 -2.33938974e+01 2.33484007e+01 4 -1.85972209e+01 2.36934321e+01 -6.75653284e+00 5 8.68278446e+00 -3.49445692e+01 -2.55881139e+01 6 6.19468386e+01 -1.92692892e+01 -4.16346907e+01 7 1.84987035e+01 -2.84832203e+01 7.21350003e+00 8 -9.25234587e+00 -4.64045702e+01 5.53809935e+01 9 -3.32619777e+01 -5.67034822e-01 -2.64753706e+01 10 -1.18871984e+01 5.22457385e+01 -6.74288716e+01 11 -4.14051675e+00 -6.83347088e+01 -5.43401755e+01 12 -4.28399678e+01 3.50065132e+01 -8.77793970e+00 13 -7.00742906e+00 3.58022817e+01 -9.33775963e+01 14 2.41148028e+01 3.39685691e+01 -3.50253926e+01 15 4.19703438e+01 -1.67697352e+01 1.13848029e+01 16 3.27241215e+01 8.95945356e+01 -3.13548332e+01 17 -2.05169164e+01 -3.10779915e+01 1.93259419e+01 18 -1.16742846e+01 -1.11723542e+01 1.12175524e+01 19 -1.41263653e+01 -1.37512134e+01 2.65462874e+01 20 -5.85041594e+01 -4.88116023e+01 3.57758741e+01 21 3.69306306e+00 -2.61567880e+01 -2.42923247e+01 22 2.41231620e+01 9.13260899e+00 -3.06044509e+01 23 4.38205177e+01 -4.45631099e+01 3.41324737e+01 24 -2.25384826e+01 1.44276942e+01 2.20603225e+01 25 -4.77629068e+01 -2.17114781e+01 6.09980923e+00 26 -4.60296779e+01 1.20417693e+02 7.43719555e+01 27 4.61294741e+01 1.70923709e+01 3.44951515e+01 28 -2.69943925e+01 1.88720368e+01 1.68434181e+01 29 4.42151285e+01 -3.86130059e+01 7.50114794e+01 30 2.84743633e+01 2.16776446e+01 1.22807369e+01 31 2.11819963e+01 9.68352977e+00 2.05085256e+01 32 8.01662067e+00 1.91700456e+01 2.26207613e+01 MIXED STRUCTURE (pbc=True)-- Species = Pt Ti (Configuration in file "config-T-PtTi.xyz") ----------------------------------------------------------------------------------------------------- Energy = 472.8083271938618 Forces: 1 -2.52836068e+01 -2.39030475e+01 -3.55637993e+01 2 2.31162885e+01 1.20223541e+01 -1.34355721e+01 3 2.81882713e+00 -1.37457722e+00 2.35051306e+01 4 -7.78360122e+00 2.29401944e+01 -1.65111250e+00 5 9.46750631e+00 -2.29299994e+01 -1.68988368e+01 6 4.12645653e+01 -1.61147414e+01 -1.70267147e+01 7 1.11211903e-01 -5.04015265e+00 1.02104500e+01 8 -1.02582379e+01 -4.65721888e+01 5.73838416e+01 9 -1.22934645e+00 1.95341033e+01 6.29846629e+00 10 -1.10426088e+01 2.82445306e+01 -5.79512027e+01 11 -3.64042806e-01 -6.97889122e+01 -4.92668570e+01 12 -1.77763393e+01 8.48302365e+00 4.43451130e-03 13 -9.91135500e+00 3.58980406e+01 -7.58336851e+01 14 4.35691351e+00 3.35182199e+01 -4.36083458e+01 15 1.59562756e+01 -2.31432373e+01 2.20586027e+01 16 3.02799184e+01 6.91544687e+01 -3.03765475e+01 17 2.79718104e+00 -1.46281512e+01 1.98361180e+01 18 -9.60242895e+00 -9.89088385e+00 1.12792189e+01 19 -1.35139123e+01 -3.40326642e+00 1.61296076e+01 20 -4.77098988e+01 -7.80223419e+01 -2.17132728e+01 21 -5.13872077e-01 -5.66406102e+00 -2.17943022e+01 22 1.06785346e+01 1.66697590e+01 -3.26903901e+01 23 3.58473339e+01 -4.80660476e+01 3.52793208e+01 24 -2.67292088e+01 1.00905712e+01 2.63705548e+00 25 -3.79559847e+01 -2.34663584e+01 6.47257279e+00 26 -4.87450583e+01 1.07802271e+02 7.09046948e+01 27 4.53926799e+01 1.60898361e+01 2.34511813e+01 28 -2.14731308e+01 2.14255819e+01 1.21565111e+01 29 4.53663362e+01 -4.15939561e+01 7.13722952e+01 30 1.14943664e+01 7.37237020e+00 1.49145383e+01 31 -6.15946959e-01 1.79607693e+01 3.68745152e+00 32 1.15606413e+01 6.39582909e+00 1.02291472e+01 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 18:46:08) ===