Enter a model name: === Verification check vc-memory-leak start (2022-11-29 19:08:09) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : Sim_LAMMPS_GW_GaoWeber_2002_SiC__SM_606253546840_000 Supported species : C Si random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = C (Configuration in file "config-F-C.xyz") ----------------------------------------------------------------------------------------------------- Energy = -100.55665537476705 Forces: 1 2.77149239e+00 1.76369986e+00 7.15812036e-01 2 -3.38967611e+00 3.12049718e+00 -2.86443946e+00 3 -1.29094296e+00 -1.98112402e+00 5.81432306e-01 4 1.74971652e-01 1.92974140e+00 -2.42813135e-01 5 2.43895124e+00 -8.51000264e-01 2.11972077e+00 6 -1.91125515e+00 -1.64471079e+00 1.64107100e+00 7 -4.09817501e-01 -2.68897169e+00 -4.80601293e+00 8 -4.89888865e-01 -2.66517356e+00 -1.67008589e+00 9 3.34725611e-01 -4.74065883e+00 1.52670431e+00 10 -2.22568895e+00 2.08086863e+00 -2.71751822e+00 11 -4.84715956e+00 -4.24576451e+00 -8.43964767e-01 12 6.73346533e-01 -1.45622314e+00 2.06638052e+00 13 -4.75774513e-01 4.53027246e-01 -1.75596087e+01 14 -4.82995345e-02 -1.33757041e-01 1.38548968e-01 15 9.55209213e+00 4.79433985e-01 1.90920819e+00 16 1.28309058e+00 9.05373657e+00 9.65533296e-01 17 -2.52144684e-02 6.42503620e-02 -5.23842378e-01 18 -3.33968539e-01 1.71982965e+00 1.21033022e+00 19 3.85940674e+00 1.87396615e+00 -1.61842543e+00 20 5.33771928e-01 -1.03252970e+00 -6.52498551e-01 21 -2.52951444e+00 6.02471519e-01 5.86999063e+00 22 2.32204324e-02 1.85471534e+00 2.63978350e+00 23 -3.81080384e+00 2.94673094e+00 -1.65907916e+00 24 2.39673925e+00 2.34458539e+00 -4.04474767e+00 25 -4.99666102e-01 3.47372354e-01 -2.68572241e+00 26 2.66148553e-01 1.85946511e+00 2.37284517e+00 27 6.87324039e+00 -5.04881197e+00 1.67689147e+00 28 -2.71775474e+00 2.32003674e+00 -7.14206924e-01 29 -1.05815756e+00 -4.43464128e+00 1.44634613e+01 30 -5.93000276e-01 -4.33328349e-01 1.13193625e+00 31 -2.57361223e+00 -5.47876786e+00 -2.43177995e-01 32 -1.95100210e+00 2.02103455e+00 1.81649366e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = C (Configuration in file "config-T-C.xyz") ----------------------------------------------------------------------------------------------------- Energy = -100.55665537476705 Forces: 1 2.77149239e+00 1.76369986e+00 7.15812036e-01 2 -3.38967611e+00 3.12049718e+00 -2.86443946e+00 3 -1.29094296e+00 -1.98112402e+00 5.81432306e-01 4 1.74971652e-01 1.92974140e+00 -2.42813135e-01 5 2.43895124e+00 -8.51000264e-01 2.11972077e+00 6 -1.91125515e+00 -1.64471079e+00 1.64107100e+00 7 -4.09817501e-01 -2.68897169e+00 -4.80601293e+00 8 -4.89888865e-01 -2.66517356e+00 -1.67008589e+00 9 3.34725611e-01 -4.74065883e+00 1.52670431e+00 10 -2.22568895e+00 2.08086863e+00 -2.71751822e+00 11 -4.84715956e+00 -4.24576451e+00 -8.43964767e-01 12 6.73346533e-01 -1.45622314e+00 2.06638052e+00 13 -4.75774513e-01 4.53027246e-01 -1.75596087e+01 14 -4.82995345e-02 -1.33757041e-01 1.38548968e-01 15 9.55209213e+00 4.79433985e-01 1.90920819e+00 16 1.28309058e+00 9.05373657e+00 9.65533296e-01 17 -2.52144684e-02 6.42503620e-02 -5.23842378e-01 18 -3.33968539e-01 1.71982965e+00 1.21033022e+00 19 3.85940674e+00 1.87396615e+00 -1.61842543e+00 20 5.33771928e-01 -1.03252970e+00 -6.52498551e-01 21 -2.52951444e+00 6.02471519e-01 5.86999063e+00 22 2.32204324e-02 1.85471534e+00 2.63978350e+00 23 -3.81080384e+00 2.94673094e+00 -1.65907916e+00 24 2.39673925e+00 2.34458539e+00 -4.04474767e+00 25 -4.99666102e-01 3.47372354e-01 -2.68572241e+00 26 2.66148553e-01 1.85946511e+00 2.37284517e+00 27 6.87324039e+00 -5.04881197e+00 1.67689147e+00 28 -2.71775474e+00 2.32003674e+00 -7.14206924e-01 29 -1.05815756e+00 -4.43464128e+00 1.44634613e+01 30 -5.93000276e-01 -4.33328349e-01 1.13193625e+00 31 -2.57361223e+00 -5.47876786e+00 -2.43177995e-01 32 -1.95100210e+00 2.02103455e+00 1.81649366e+00 MONOATOMIC STRUCTURE (pbc=False)-- Species = Si (Configuration in file "config-F-Si.xyz") ----------------------------------------------------------------------------------------------------- Energy = 262.1633239647867 Forces: 1 -2.28872482e+01 -1.76459312e+01 -2.44828239e+01 2 4.28449189e+01 -1.52517433e+00 -5.56217514e+01 3 -9.32630095e+00 -5.84424421e+01 -8.84299544e+00 4 -5.22104638e+01 5.36822945e+00 3.77036833e+01 5 -3.82509616e+00 -1.22328862e+01 -2.21811825e+01 6 1.60925238e+01 5.02545729e+00 -1.55954088e+01 7 2.20746880e+01 -1.66097910e+01 4.53006014e+00 8 2.39750216e+01 3.12823703e+01 -8.07257381e+00 9 -4.47442733e+01 -7.77164947e+00 -2.52794870e+01 10 1.64333617e+01 3.42539990e+01 -4.24041807e+01 11 3.79060302e+01 -4.48733403e+01 1.23010231e+01 12 -5.22417614e+01 4.75044361e+01 8.33784460e-01 13 1.54542130e+01 1.06500184e+01 -2.88900663e+01 14 8.80033587e+00 3.03679251e+00 -5.71716309e+00 15 1.60679713e+01 -1.10598919e-01 -1.43941252e+01 16 1.13784467e+01 2.07424879e+01 -7.63431603e-01 17 -3.92165029e+01 -4.12105089e+01 -3.27651739e+00 18 3.54331313e+01 -5.13115174e-01 -1.99384946e+01 19 -1.60716970e+01 -3.97679561e+01 3.51305465e+01 20 -4.69039976e+01 -1.06579637e+01 3.47685862e+01 21 4.10009553e+00 -5.97279552e+01 -7.16180947e+00 22 4.95873142e+01 -7.51524630e-01 -2.11673730e+01 23 2.38566066e+01 -2.16636514e+01 1.92599864e+01 24 -1.57469530e+01 2.73034770e+01 5.44886509e+01 25 -6.71577359e+01 2.39783564e+01 -2.03404724e+01 26 5.40214459e+00 4.19625811e+01 1.19412082e+01 27 2.58635459e+01 6.57274982e+00 4.84502065e+01 28 -9.18954337e+00 2.41194321e+01 2.53627298e+01 29 -2.27031527e+01 -3.61066099e+00 -2.53599348e+00 30 2.46213469e+01 2.15008151e+01 -1.34637805e+01 31 3.32098589e+01 1.64288049e+01 2.79296400e+01 32 -1.08768288e+01 1.73851423e+01 2.74295250e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Si (Configuration in file "config-T-Si.xyz") ----------------------------------------------------------------------------------------------------- Energy = 262.1633239647867 Forces: 1 -2.28872482e+01 -1.76459312e+01 -2.44828239e+01 2 4.28449189e+01 -1.52517433e+00 -5.56217514e+01 3 -9.32630095e+00 -5.84424421e+01 -8.84299544e+00 4 -5.22104638e+01 5.36822945e+00 3.77036833e+01 5 -3.82509616e+00 -1.22328862e+01 -2.21811825e+01 6 1.60925238e+01 5.02545729e+00 -1.55954088e+01 7 2.20746880e+01 -1.66097910e+01 4.53006014e+00 8 2.39750216e+01 3.12823703e+01 -8.07257381e+00 9 -4.47442733e+01 -7.77164947e+00 -2.52794870e+01 10 1.64333617e+01 3.42539990e+01 -4.24041807e+01 11 3.79060302e+01 -4.48733403e+01 1.23010231e+01 12 -5.22417614e+01 4.75044361e+01 8.33784460e-01 13 1.54542130e+01 1.06500184e+01 -2.88900663e+01 14 8.80033587e+00 3.03679251e+00 -5.71716309e+00 15 1.60679713e+01 -1.10598919e-01 -1.43941252e+01 16 1.13784467e+01 2.07424879e+01 -7.63431603e-01 17 -3.92165029e+01 -4.12105089e+01 -3.27651739e+00 18 3.54331313e+01 -5.13115174e-01 -1.99384946e+01 19 -1.60716970e+01 -3.97679561e+01 3.51305465e+01 20 -4.69039976e+01 -1.06579637e+01 3.47685862e+01 21 4.10009553e+00 -5.97279552e+01 -7.16180947e+00 22 4.95873142e+01 -7.51524630e-01 -2.11673730e+01 23 2.38566066e+01 -2.16636514e+01 1.92599864e+01 24 -1.57469530e+01 2.73034770e+01 5.44886509e+01 25 -6.71577359e+01 2.39783564e+01 -2.03404724e+01 26 5.40214459e+00 4.19625811e+01 1.19412082e+01 27 2.58635459e+01 6.57274982e+00 4.84502065e+01 28 -9.18954337e+00 2.41194321e+01 2.53627298e+01 29 -2.27031527e+01 -3.61066099e+00 -2.53599348e+00 30 2.46213469e+01 2.15008151e+01 -1.34637805e+01 31 3.32098589e+01 1.64288049e+01 2.79296400e+01 32 -1.08768288e+01 1.73851423e+01 2.74295250e+01 MIXED STRUCTURE (pbc=False)-- Species = C Si (Configuration in file "config-F-CSi.xyz") ----------------------------------------------------------------------------------------------------- Energy = 31.827969143204673 Forces: 1 -1.09937306e+01 -6.49530043e+00 -9.46961520e+00 2 1.33236446e+00 -1.12934949e+01 -3.59197255e+01 3 -2.76348927e+00 -4.13503866e+01 -3.14162125e+01 4 -2.35272122e+01 1.03007385e+01 -8.27819674e+00 5 1.09327281e+01 -7.40397404e-01 -1.02680213e+01 6 -7.81898103e-01 1.17127752e+01 -8.34342228e+00 7 1.59537461e+01 -8.26962611e+00 -6.97690376e-02 8 3.00727730e+01 -2.41017864e+00 -7.21672154e+00 9 -1.68215368e+01 1.00776820e+00 -1.25012771e+01 10 8.36987288e+00 3.45698315e-01 -4.71600993e+00 11 2.83735310e+00 2.52457119e+01 -4.82754056e+00 12 -1.94953167e+01 2.14231201e+01 8.24470717e+00 13 8.43021166e+00 4.54281411e+00 -6.69246672e+00 14 5.74557500e+00 6.84908362e+00 -1.25339309e+01 15 5.55687417e+00 -1.15712505e+01 -1.88414942e+00 16 -7.51967155e+00 1.82034067e+00 6.80357863e+00 17 -5.21146682e+01 -3.26369727e+01 7.99822989e+00 18 6.94364147e+00 2.58374065e+01 4.50990184e+00 19 3.05235119e+00 -3.54560859e+00 8.46309910e+00 20 -3.65893121e+01 -6.43428425e+00 3.11467267e+01 21 3.72898668e+01 -4.13838847e+01 2.40370972e+01 22 9.35599330e+00 2.75925305e+01 -3.33964532e+01 23 5.00151906e+00 -3.04381925e+01 3.32468740e+01 24 -6.01666078e+00 6.13745386e+00 1.68516922e+01 25 -7.42668026e+00 3.90402526e+00 1.18600735e+00 26 -6.01565868e+00 2.15924069e+01 -5.96121481e+00 27 1.72154983e+01 3.51983009e+00 3.69736609e+01 28 -1.75991724e+01 5.37303369e+00 -1.43642457e+00 29 2.01470225e+01 3.52562040e-01 4.96317129e+00 30 -5.55624004e-01 4.62663761e+00 1.62352629e+00 31 -3.24342055e+00 7.91140930e-01 4.17133650e+00 32 2.32266611e+01 1.35944994e+01 4.71154210e+00 MIXED STRUCTURE (pbc=True)-- Species = C Si (Configuration in file "config-T-CSi.xyz") ----------------------------------------------------------------------------------------------------- Energy = 117.50751406316687 Forces: 1 5.23025619e+00 1.03722482e+01 -2.10841194e+01 2 1.11920723e+01 -2.64969029e+01 -5.36550721e-01 3 9.60709873e+00 -1.94824638e+01 -2.82633968e+01 4 -1.35729820e+01 1.15978018e+01 -4.67510506e+00 5 9.55341900e+00 6.89850893e-01 -1.41237808e+01 6 -8.15935429e+00 1.41710162e+01 -1.28023774e+01 7 5.50820323e+00 1.60056549e+01 6.74585828e+00 8 2.94306501e+01 -1.63135802e+00 -6.60315129e+00 9 -1.50701055e+01 -2.42201927e+00 -4.53683130e+00 10 1.54733919e+01 -8.91030085e+00 -1.05913586e+01 11 5.11396795e+00 2.24823641e+01 -2.78450754e+00 12 -2.44013663e+01 -3.15875468e+00 1.65214213e+01 13 1.16582259e+01 5.03252572e+00 -3.42908113e+00 14 -1.15322965e+01 1.54984073e+00 -2.99101645e+01 15 -6.65910891e+00 -2.67540323e+01 1.57414184e+01 16 -1.38017909e+01 -8.91575077e+00 1.04837510e+01 17 -4.17305943e+01 -2.83692461e+01 1.52479995e+01 18 7.25812674e+00 2.81930297e+01 6.01408218e+00 19 2.72255556e+00 -1.77202014e+00 1.21218471e+01 20 -4.45470930e+01 8.30030559e-01 1.64323116e+01 21 3.61323349e+01 -3.73228928e+01 2.52413197e+01 22 6.01084181e+00 3.17218159e+01 -3.76735144e+01 23 -1.40198729e+00 -3.62143005e+01 3.86715659e+01 24 -6.21405953e+00 5.98425207e+00 1.16655266e+01 25 -3.86315592e+00 -6.95909179e-01 -1.25709531e+00 26 1.41548472e+00 8.39720784e+00 -2.39187076e+00 27 2.76139024e+01 1.80795039e+01 5.92364944e-01 28 -2.91824674e+01 6.60309336e+00 -1.69910345e+01 29 1.93832911e+01 -6.68633636e-01 4.70844256e+00 30 -4.25528902e+00 9.05401902e+00 5.59643409e+00 31 -5.99923312e+00 -2.58561175e+00 6.69564977e+00 32 2.70870614e+01 1.46359418e+01 5.17394666e+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 19:08:53) ===