Enter a model name: === Verification check vc-memory-leak start (2022-11-29 18:54:00) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_LeeShim_2004_NiCu__MO_409065472403_001 Supported species : Cu Ni random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Cu (Configuration in file "config-F-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 7.489464810723154 Forces: 1 -7.64672447e-01 -7.04805203e+00 -7.91470908e+00 2 -7.17519608e+00 9.14457610e+00 -3.06775360e+00 3 5.26928160e+00 -2.66189474e+00 -1.87162814e+00 4 -4.52445064e+00 5.19227903e+00 5.40281836e+00 5 4.90766435e+00 -1.39717826e+01 -1.64898202e+00 6 4.30146245e+00 4.86743105e+00 -3.55772802e+00 7 1.09045143e+01 -2.11234285e+01 -2.42635066e+01 8 -1.90806118e+01 -4.96813865e+00 -4.29260388e+00 9 -1.05358526e+01 -5.63991885e+00 -1.29721216e+01 10 -7.29680353e+00 1.98156100e+01 -1.75188951e+01 11 -3.69534496e+00 -1.60137864e+01 1.50306359e+01 12 -7.32928053e+00 1.13090322e+01 3.10946739e+00 13 -2.52831451e+00 -1.13722567e+01 -3.46467269e+01 14 4.83568061e+00 7.40917324e+00 -5.08466275e+00 15 3.14294828e+01 -9.42793906e+00 1.04661275e+01 16 5.20587835e+00 2.15611979e+01 1.14651707e+01 17 -1.18275086e+01 -6.97734292e+00 -5.09173994e+00 18 -3.35318103e+00 1.28091852e+01 -2.22737205e+01 19 3.01982753e+00 -1.63744276e+01 1.09497462e+01 20 -6.74440134e+00 7.57427073e+00 7.87929984e+00 21 -1.96108065e+01 -1.28348308e+01 1.25866418e+01 22 2.08180455e+01 1.75147060e+01 1.35985167e+01 23 5.69001822e+00 -1.01545253e+00 6.55565678e+00 24 1.40463958e+01 3.74185626e+00 1.34524977e+01 25 -3.30782854e+00 -7.93495751e+00 -7.48911377e-01 26 -3.40246066e+00 9.30939036e+00 -9.78513798e+00 27 1.39011175e+01 -2.66479765e+01 5.50529890e+00 28 -2.83710739e+01 2.41522861e+01 1.05500601e+01 29 -7.78172858e+00 -6.79181515e+00 4.71148340e+00 30 6.21573273e+00 9.24982672e+00 3.23427020e+00 31 1.04769506e+01 -6.21671135e+00 6.37474352e+00 32 6.30746386e+00 1.33698911e+01 1.38663925e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Cu (Configuration in file "config-T-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 7.489464810723154 Forces: 1 -7.64672447e-01 -7.04805203e+00 -7.91470908e+00 2 -7.17519608e+00 9.14457610e+00 -3.06775360e+00 3 5.26928160e+00 -2.66189474e+00 -1.87162814e+00 4 -4.52445064e+00 5.19227903e+00 5.40281836e+00 5 4.90766435e+00 -1.39717826e+01 -1.64898202e+00 6 4.30146245e+00 4.86743105e+00 -3.55772802e+00 7 1.09045143e+01 -2.11234285e+01 -2.42635066e+01 8 -1.90806118e+01 -4.96813865e+00 -4.29260388e+00 9 -1.05358526e+01 -5.63991885e+00 -1.29721216e+01 10 -7.29680353e+00 1.98156100e+01 -1.75188951e+01 11 -3.69534496e+00 -1.60137864e+01 1.50306359e+01 12 -7.32928053e+00 1.13090322e+01 3.10946739e+00 13 -2.52831451e+00 -1.13722567e+01 -3.46467269e+01 14 4.83568061e+00 7.40917324e+00 -5.08466275e+00 15 3.14294828e+01 -9.42793906e+00 1.04661275e+01 16 5.20587835e+00 2.15611979e+01 1.14651707e+01 17 -1.18275086e+01 -6.97734292e+00 -5.09173994e+00 18 -3.35318103e+00 1.28091852e+01 -2.22737205e+01 19 3.01982753e+00 -1.63744276e+01 1.09497462e+01 20 -6.74440134e+00 7.57427073e+00 7.87929984e+00 21 -1.96108065e+01 -1.28348308e+01 1.25866418e+01 22 2.08180455e+01 1.75147060e+01 1.35985167e+01 23 5.69001822e+00 -1.01545253e+00 6.55565678e+00 24 1.40463958e+01 3.74185626e+00 1.34524977e+01 25 -3.30782854e+00 -7.93495751e+00 -7.48911377e-01 26 -3.40246066e+00 9.30939036e+00 -9.78513798e+00 27 1.39011175e+01 -2.66479765e+01 5.50529890e+00 28 -2.83710739e+01 2.41522861e+01 1.05500601e+01 29 -7.78172858e+00 -6.79181515e+00 4.71148340e+00 30 6.21573273e+00 9.24982672e+00 3.23427020e+00 31 1.04769506e+01 -6.21671135e+00 6.37474352e+00 32 6.30746386e+00 1.33698911e+01 1.38663925e+01 MONOATOMIC STRUCTURE (pbc=False)-- Species = Ni (Configuration in file "config-F-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = -30.31227004926147 Forces: 1 -2.25888237e+00 -6.56984731e-01 -2.34712839e+00 2 8.78517267e+00 -1.32441248e+01 -1.12427475e+01 3 -6.96033988e+00 -6.91980676e+00 -3.69608302e+00 4 -1.05062880e+01 -9.16568694e+00 -5.58412400e+00 5 -9.00981330e+00 -6.22697814e+00 -1.36413687e+01 6 6.23974449e+00 -6.61670708e+00 -1.29597610e+01 7 1.10178152e+01 -4.55366310e+00 1.09077428e+01 8 3.00150816e+00 8.19159831e+00 3.24486980e+00 9 -2.25517831e+01 5.65516805e+00 -1.20460650e+01 10 -1.61920394e+01 2.37326253e+01 -1.12275567e+00 11 1.28138771e+01 -1.93345993e+00 9.31709046e-01 12 -1.00463681e+01 1.11608698e+01 3.94487289e+00 13 2.07530013e+01 -1.69764434e+01 -9.82351694e+00 14 3.77164505e+00 8.97082572e+00 -5.58757274e+00 15 9.51943416e-01 7.49712699e+00 9.36936513e+00 16 2.27404948e+01 1.56033644e+01 -2.70956830e+01 17 -1.18548507e+01 -3.84275249e+00 -5.87819499e+00 18 1.45767006e+01 -1.81351600e+01 7.12153998e+00 19 -3.73228162e-01 -3.09927357e+00 2.15599939e+01 20 -1.70337618e+00 1.19513878e+00 3.21700141e+00 21 1.60217695e+01 -7.51411005e-02 -6.70283726e+00 22 7.41885691e+00 -5.01146627e+00 2.80607131e+00 23 -1.37178263e-02 -4.64532222e-01 -3.70978311e-01 24 -4.90920630e+00 -5.26133328e+00 5.09141816e+00 25 -2.03809765e+01 1.15650486e+01 8.12651736e+00 26 -3.11052763e+01 1.76671954e+01 2.33243978e+01 27 1.14064221e-01 1.23135508e+00 7.20094035e+00 28 -1.39118412e+00 3.24929330e+00 2.00127247e+00 29 1.33952409e+01 -1.86505921e+01 6.41966963e+00 30 5.25719765e+00 5.66219537e+00 -1.04158870e+01 31 8.02832717e+00 -6.37356158e+00 1.06968487e+01 32 -5.63002888e+00 5.82586244e+00 2.55047274e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ni (Configuration in file "config-T-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = -30.31227004926147 Forces: 1 -2.25888237e+00 -6.56984731e-01 -2.34712839e+00 2 8.78517267e+00 -1.32441248e+01 -1.12427475e+01 3 -6.96033988e+00 -6.91980676e+00 -3.69608302e+00 4 -1.05062880e+01 -9.16568694e+00 -5.58412400e+00 5 -9.00981330e+00 -6.22697814e+00 -1.36413687e+01 6 6.23974449e+00 -6.61670708e+00 -1.29597610e+01 7 1.10178152e+01 -4.55366310e+00 1.09077428e+01 8 3.00150816e+00 8.19159831e+00 3.24486980e+00 9 -2.25517831e+01 5.65516805e+00 -1.20460650e+01 10 -1.61920394e+01 2.37326253e+01 -1.12275567e+00 11 1.28138771e+01 -1.93345993e+00 9.31709046e-01 12 -1.00463681e+01 1.11608698e+01 3.94487289e+00 13 2.07530013e+01 -1.69764434e+01 -9.82351694e+00 14 3.77164505e+00 8.97082572e+00 -5.58757274e+00 15 9.51943416e-01 7.49712699e+00 9.36936513e+00 16 2.27404948e+01 1.56033644e+01 -2.70956830e+01 17 -1.18548507e+01 -3.84275249e+00 -5.87819499e+00 18 1.45767006e+01 -1.81351600e+01 7.12153998e+00 19 -3.73228162e-01 -3.09927357e+00 2.15599939e+01 20 -1.70337618e+00 1.19513878e+00 3.21700141e+00 21 1.60217695e+01 -7.51411005e-02 -6.70283726e+00 22 7.41885691e+00 -5.01146627e+00 2.80607131e+00 23 -1.37178263e-02 -4.64532222e-01 -3.70978311e-01 24 -4.90920630e+00 -5.26133328e+00 5.09141816e+00 25 -2.03809765e+01 1.15650486e+01 8.12651736e+00 26 -3.11052763e+01 1.76671954e+01 2.33243978e+01 27 1.14064221e-01 1.23135508e+00 7.20094035e+00 28 -1.39118412e+00 3.24929330e+00 2.00127247e+00 29 1.33952409e+01 -1.86505921e+01 6.41966963e+00 30 5.25719765e+00 5.66219537e+00 -1.04158870e+01 31 8.02832717e+00 -6.37356158e+00 1.06968487e+01 32 -5.63002888e+00 5.82586244e+00 2.55047274e+00 MIXED STRUCTURE (pbc=False)-- Species = Cu Ni (Configuration in file "config-F-CuNi.xyz") ----------------------------------------------------------------------------------------------------- Energy = 32.40869955186327 Forces: 1 -2.56301498e+01 -2.19668465e+01 -4.14359188e+01 2 -8.86961424e+00 7.47704148e+00 -3.26889747e+01 3 2.09890422e+01 -2.77904034e+01 2.51704782e+01 4 -2.61873085e+01 3.03008296e+01 1.79052110e+01 5 7.84523795e+00 -1.29030126e+01 -1.32150843e+01 6 8.07847590e+00 1.02469701e+01 -1.23704977e+01 7 5.96108265e+00 -1.09813054e+01 9.28368735e+00 8 3.51788152e+01 -6.68305329e+00 8.48557764e+00 9 -7.14632919e+00 -1.91384868e+00 -6.29495263e+00 10 8.80338013e+00 3.75066796e+00 -7.53273155e+00 11 -1.52647640e+01 2.74377379e+01 -1.04657541e+01 12 -7.15924476e+00 4.11317565e+00 7.48683902e+00 13 -4.86743301e-01 4.87317086e+00 -9.34986725e+00 14 2.34833842e+01 2.61401949e+00 -1.59404215e+01 15 6.00345354e+00 3.16722610e-01 -6.28447340e+00 16 -1.63405362e+01 9.50716382e+00 1.42824934e+01 17 -1.32141426e+01 -1.18161510e+01 1.24258495e+01 18 -8.65379444e+00 1.25886149e+00 2.28653394e+01 19 -1.37206879e+01 -1.28656726e+01 1.93387783e+01 20 -1.44793206e+01 -1.63396550e+01 5.33711176e+00 21 1.40717249e+01 -1.83588684e+01 -1.77891120e+01 22 2.47713972e+01 1.52084327e+01 -3.03388913e+01 23 1.49383655e+01 -2.33827803e+01 1.57904390e+01 24 -2.48664934e+01 1.78490241e+01 2.81677709e+01 25 -1.17905031e+01 -6.32482816e+00 -1.45449548e+01 26 -1.34027716e+01 1.28453737e+01 -1.32718207e+01 27 1.82255575e+01 5.52002964e+00 5.88039502e+00 28 -5.69806063e+00 1.27509548e+01 1.30415416e+01 29 6.91338915e+00 -7.25967803e+00 3.45822961e+00 30 4.11217490e+00 1.35227453e+01 -7.71775920e+00 31 1.61782997e+00 -8.65698998e+00 1.25273873e+01 32 1.19171536e+01 7.65017203e+00 1.77940849e+01 MIXED STRUCTURE (pbc=True)-- Species = Cu Ni (Configuration in file "config-T-CuNi.xyz") ----------------------------------------------------------------------------------------------------- Energy = 38.61276407438239 Forces: 1 -2.36622952e+01 -1.36353401e+01 -3.75555305e+01 2 -8.17451827e+00 1.86982303e+00 -2.68135316e+01 3 2.60887385e+01 -1.12482818e+01 2.69522674e+01 4 -2.13413767e+01 2.64584463e+01 1.79438241e+01 5 7.14885180e+00 -1.90155366e+00 -1.41716429e+01 6 6.03868000e+00 9.94584056e+00 -7.12588297e+00 7 1.69664125e+00 -5.46798792e+00 8.24148136e+00 8 3.65026065e+01 -5.84838855e+00 8.09170631e+00 9 -5.32255972e+00 -2.14083175e+00 -3.80457943e+00 10 1.07157907e+01 -1.31363984e+01 -4.31860362e+00 11 -1.52795696e+01 2.86618983e+01 -1.17265842e+01 12 -1.01769958e+01 -8.22936545e+00 9.13190076e+00 13 4.15039354e+00 4.43265089e+00 -6.56080924e-01 14 2.17017484e+01 1.95386186e+00 -1.53858634e+01 15 5.47638122e-01 -4.52097812e-01 -4.40073876e+00 16 -1.31269417e+01 -1.15264226e+00 1.39844194e+01 17 -8.48815723e+00 -7.90245087e+00 1.26996225e+01 18 -9.59914260e+00 1.12363630e+00 2.27966951e+01 19 -2.05614356e+01 1.00184010e+01 1.65869381e+01 20 -1.45535866e+01 -1.16406539e+01 -9.66589559e-01 21 1.32617101e+01 -1.63462418e+01 -1.52115037e+01 22 2.40841786e+01 1.52937279e+01 -3.05769056e+01 23 1.05719857e+01 -2.32979319e+01 1.51607126e+01 24 -2.61983537e+01 1.76849568e+01 2.53628767e+01 25 -5.68441335e+00 -7.37491229e+00 -1.38633923e+01 26 -1.29568034e+01 1.01881755e+01 -1.06507310e+01 27 1.44813692e+01 6.30913287e+00 -5.80205268e+00 28 -5.46685183e+00 1.31384504e+01 5.18595555e+00 29 6.65611458e+00 -6.80093566e+00 4.67233239e+00 30 -1.20817554e+00 1.08935598e+01 -7.36860346e+00 31 -1.41288410e+00 -1.08031193e+01 1.06262783e+01 32 1.95676138e+01 -1.05934282e+01 1.29618060e+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 18:54:19) ===