Enter a model name: === Verification check vc-memory-leak start (2022-11-29 18:54:05) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_ShimLeeFleury_2011_VH__MO_072444764353_001 Supported species : H V random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = H (Configuration in file "config-F-H.xyz") ----------------------------------------------------------------------------------------------------- Energy = -6.19912101089898 Forces: 1 3.83782339e-01 3.06082863e-01 6.43612418e-01 2 6.57336842e-01 -6.87330523e-01 8.66148656e-02 3 -3.04876615e-01 9.89211448e-02 -3.64860279e-01 4 2.48933243e-01 -3.84243702e-01 -2.55947573e-01 5 -4.72050936e-01 6.59344539e-01 -3.39061736e-01 6 -4.26055110e-01 -2.83332286e-01 2.93201117e-01 7 4.83713988e-01 1.15592828e+00 1.63664938e+00 8 7.45099334e-01 3.61023732e-02 -9.00776443e-02 9 4.22129090e-01 1.20110706e+00 4.48361438e-01 10 -3.99840940e-01 -1.13781451e+00 5.41714472e-01 11 -6.78153764e-01 7.42511900e-01 -5.99360602e-01 12 -1.51234375e-01 -3.91100887e-01 -1.44315035e-01 13 9.17845951e-01 6.16181377e-01 8.49866424e-01 14 -6.86190294e-02 -4.75593806e-01 3.38022466e-01 15 -5.41198728e-01 1.95234702e-01 -1.00495573e+00 16 -5.32985118e-01 -3.29554909e-01 -7.68670624e-01 17 3.19133546e-01 1.85239850e-01 5.25271597e-01 18 -1.91837270e-01 -4.81443028e-01 5.99883797e-01 19 -4.17545784e-01 5.25649022e-01 -1.91525783e-01 20 8.41686776e-02 -4.32704043e-01 -2.21551267e-01 21 5.76371611e-01 1.14987476e-01 -1.67280189e-01 22 -5.77534895e-01 -1.16509953e+00 -1.26588327e+00 23 -1.92641719e-01 2.76851476e-02 -2.61545867e-01 24 -2.15377825e-01 -3.00687826e-01 -4.25892182e-01 25 -9.70389336e-02 3.05561819e-01 -2.82101032e-01 26 1.06765376e+00 -6.27635724e-01 1.14744160e+00 27 -8.67987788e-01 1.46292730e+00 6.17706230e-02 28 1.30267280e+00 -1.18559594e+00 -6.48269965e-02 29 3.72299300e-01 -2.14415416e-01 5.23166584e-01 30 6.16773980e-02 -3.10738502e-01 2.34254993e-01 31 -3.17184862e-01 4.24327122e-01 -5.39158627e-01 32 -1.19065419e+00 3.49498665e-01 -9.42817328e-01 MONOATOMIC STRUCTURE (pbc=True)-- Species = H (Configuration in file "config-T-H.xyz") ----------------------------------------------------------------------------------------------------- Energy = -6.19912101089898 Forces: 1 3.83782339e-01 3.06082863e-01 6.43612418e-01 2 6.57336842e-01 -6.87330523e-01 8.66148656e-02 3 -3.04876615e-01 9.89211448e-02 -3.64860279e-01 4 2.48933243e-01 -3.84243702e-01 -2.55947573e-01 5 -4.72050936e-01 6.59344539e-01 -3.39061736e-01 6 -4.26055110e-01 -2.83332286e-01 2.93201117e-01 7 4.83713988e-01 1.15592828e+00 1.63664938e+00 8 7.45099334e-01 3.61023732e-02 -9.00776443e-02 9 4.22129090e-01 1.20110706e+00 4.48361438e-01 10 -3.99840940e-01 -1.13781451e+00 5.41714472e-01 11 -6.78153764e-01 7.42511900e-01 -5.99360602e-01 12 -1.51234375e-01 -3.91100887e-01 -1.44315035e-01 13 9.17845951e-01 6.16181377e-01 8.49866424e-01 14 -6.86190294e-02 -4.75593806e-01 3.38022466e-01 15 -5.41198728e-01 1.95234702e-01 -1.00495573e+00 16 -5.32985118e-01 -3.29554909e-01 -7.68670624e-01 17 3.19133546e-01 1.85239850e-01 5.25271597e-01 18 -1.91837270e-01 -4.81443028e-01 5.99883797e-01 19 -4.17545784e-01 5.25649022e-01 -1.91525783e-01 20 8.41686776e-02 -4.32704043e-01 -2.21551267e-01 21 5.76371611e-01 1.14987476e-01 -1.67280189e-01 22 -5.77534895e-01 -1.16509953e+00 -1.26588327e+00 23 -1.92641719e-01 2.76851476e-02 -2.61545867e-01 24 -2.15377825e-01 -3.00687826e-01 -4.25892182e-01 25 -9.70389336e-02 3.05561819e-01 -2.82101032e-01 26 1.06765376e+00 -6.27635724e-01 1.14744160e+00 27 -8.67987788e-01 1.46292730e+00 6.17706230e-02 28 1.30267280e+00 -1.18559594e+00 -6.48269965e-02 29 3.72299300e-01 -2.14415416e-01 5.23166584e-01 30 6.16773980e-02 -3.10738502e-01 2.34254993e-01 31 -3.17184862e-01 4.24327122e-01 -5.39158627e-01 32 -1.19065419e+00 3.49498665e-01 -9.42817328e-01 MONOATOMIC STRUCTURE (pbc=False)-- Species = V (Configuration in file "config-F-V.xyz") ----------------------------------------------------------------------------------------------------- Energy = -57.57709729735044 Forces: 1 -2.28887208e+00 -2.68167164e+00 -2.60135580e+00 2 5.36762562e-01 6.51268578e-01 -1.22048136e+01 3 -1.48264583e+00 -1.29836749e+01 -1.79410537e+00 4 -1.19257491e+01 3.26587443e-01 2.54399456e+00 5 1.38976274e+00 -3.47398825e+00 -5.30272164e+00 6 2.91560380e+00 3.88343153e-01 -4.30312960e+00 7 6.69697882e+00 -7.40950701e+00 -5.65055878e+00 8 6.14085099e+00 6.61555454e-02 -4.57605138e+00 9 -8.68110181e+00 -6.88044185e+00 -1.18615731e+01 10 3.25859780e+00 5.66867841e+00 -5.93016260e+00 11 -3.12833615e+00 8.77434218e+00 -1.01338902e+01 12 -4.75552422e+00 1.25389055e+01 7.13667260e+00 13 5.76147715e-01 -1.50466166e-01 -4.90122766e+00 14 2.01688368e+00 1.35231022e+00 -1.94248265e+00 15 4.94771212e+00 2.05942372e-01 1.28378662e+00 16 -3.86907652e+00 5.00859141e+00 -3.76338760e+00 17 -4.93952699e+00 -5.41527300e+00 2.13250118e+00 18 -5.59538593e+00 -8.86662561e+00 8.41221883e+00 19 1.22853932e+00 -3.24670849e+00 3.44147512e+00 20 -6.71499199e+00 -1.97841704e+00 6.16407533e+00 21 -4.85689973e+00 -9.78535102e+00 1.42044819e+00 22 1.25104359e+01 4.50629562e+00 2.62484254e+00 23 2.73334128e+00 -4.76220278e+00 6.15447365e+00 24 1.33669549e+00 1.92084850e+00 9.78824583e+00 25 -1.17336015e+01 -1.78929847e+00 -1.34253941e+00 26 3.27014171e+00 1.05556203e+01 -1.03999587e+00 27 1.58551081e+00 2.03772831e+00 1.11911439e+01 28 -3.82910865e+00 4.26782407e+00 4.15820785e+00 29 1.41192353e+01 6.56011617e+00 3.57196251e+00 30 6.56501025e+00 2.84206287e+00 3.23911159e+00 31 2.52380195e+00 -7.88395292e-01 1.81173724e+00 32 -5.51191687e-01 2.54040084e+00 2.27309771e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = V (Configuration in file "config-T-V.xyz") ----------------------------------------------------------------------------------------------------- Energy = -57.57709729735044 Forces: 1 -2.28887208e+00 -2.68167164e+00 -2.60135580e+00 2 5.36762562e-01 6.51268578e-01 -1.22048136e+01 3 -1.48264583e+00 -1.29836749e+01 -1.79410537e+00 4 -1.19257491e+01 3.26587443e-01 2.54399456e+00 5 1.38976274e+00 -3.47398825e+00 -5.30272164e+00 6 2.91560380e+00 3.88343153e-01 -4.30312960e+00 7 6.69697882e+00 -7.40950701e+00 -5.65055878e+00 8 6.14085099e+00 6.61555454e-02 -4.57605138e+00 9 -8.68110181e+00 -6.88044185e+00 -1.18615731e+01 10 3.25859780e+00 5.66867841e+00 -5.93016260e+00 11 -3.12833615e+00 8.77434218e+00 -1.01338902e+01 12 -4.75552422e+00 1.25389055e+01 7.13667260e+00 13 5.76147715e-01 -1.50466166e-01 -4.90122766e+00 14 2.01688368e+00 1.35231022e+00 -1.94248265e+00 15 4.94771212e+00 2.05942372e-01 1.28378662e+00 16 -3.86907652e+00 5.00859141e+00 -3.76338760e+00 17 -4.93952699e+00 -5.41527300e+00 2.13250118e+00 18 -5.59538593e+00 -8.86662561e+00 8.41221883e+00 19 1.22853932e+00 -3.24670849e+00 3.44147512e+00 20 -6.71499199e+00 -1.97841704e+00 6.16407533e+00 21 -4.85689973e+00 -9.78535102e+00 1.42044819e+00 22 1.25104359e+01 4.50629562e+00 2.62484254e+00 23 2.73334128e+00 -4.76220278e+00 6.15447365e+00 24 1.33669549e+00 1.92084850e+00 9.78824583e+00 25 -1.17336015e+01 -1.78929847e+00 -1.34253941e+00 26 3.27014171e+00 1.05556203e+01 -1.03999587e+00 27 1.58551081e+00 2.03772831e+00 1.11911439e+01 28 -3.82910865e+00 4.26782407e+00 4.15820785e+00 29 1.41192353e+01 6.56011617e+00 3.57196251e+00 30 6.56501025e+00 2.84206287e+00 3.23911159e+00 31 2.52380195e+00 -7.88395292e-01 1.81173724e+00 32 -5.51191687e-01 2.54040084e+00 2.27309771e+00 MIXED STRUCTURE (pbc=False)-- Species = H V (Configuration in file "config-F-HV.xyz") ----------------------------------------------------------------------------------------------------- Energy = -88.47778417508675 Forces: 1 -3.65358216e+00 -4.42177841e+00 -3.82630761e+00 2 1.51043890e+00 4.14048685e+00 -9.57634703e+00 3 -1.13690865e+00 -1.21175160e+01 -3.33758490e+00 4 -1.10319628e+01 5.99716517e+00 -2.42403597e+00 5 1.15064531e+00 -7.12486219e-02 -3.27670660e+00 6 2.06896406e+00 1.97641885e+00 -3.04586398e+00 7 1.05283195e+00 -4.06936647e+00 3.35441177e+00 8 3.21419760e+00 2.01638328e-01 1.57452530e+00 9 -1.62098040e+00 -1.85872189e+00 -2.65344789e-01 10 9.59600809e-01 -2.89355672e-01 1.12131869e+00 11 4.23581561e+00 -4.26702496e+00 -1.63114547e+00 12 -1.85308489e+00 3.88964037e+00 3.59249727e-01 13 -3.20205030e+00 6.36415774e+00 -5.26928659e+00 14 1.26182357e+00 3.27932021e+00 1.58422947e-01 15 3.19196947e+00 -1.67311916e+00 2.14337472e+00 16 2.97453374e+00 2.19762609e+00 -1.29127243e+00 17 -4.48527825e+00 -5.79940166e+00 5.64426857e+00 18 5.25270267e+00 4.70426209e+00 1.08166509e+01 19 2.12933229e+00 -1.63006295e+00 -2.94355104e+00 20 -2.95331420e+00 2.71875705e+00 -1.13299549e-01 21 5.17631048e+00 -4.70490411e+00 6.76119280e+00 22 1.51851089e+00 3.52026281e+00 1.07593365e+00 23 2.02060692e+00 -1.92862086e+00 9.53470832e-01 24 -1.89827491e+00 -1.51156804e+00 1.57269544e+00 25 -3.53703296e+00 8.63806157e+00 6.99426139e+00 26 -1.86439907e+00 -2.33189069e-01 -1.00904828e+00 27 -1.35068287e-01 -1.72097263e-01 5.95465343e-01 28 -3.18843367e-01 -1.66189684e+00 -1.63361214e+00 29 8.57430002e-01 -2.42489037e+00 -4.10258792e+00 30 -2.88164929e+00 -1.97089354e+00 9.98691415e-01 31 1.88088335e+00 1.09582811e+00 -1.30709749e+00 32 1.15831842e-01 2.08203061e+00 9.29158352e-01 MIXED STRUCTURE (pbc=True)-- Species = H V (Configuration in file "config-T-HV.xyz") ----------------------------------------------------------------------------------------------------- Energy = -97.41046795170854 Forces: 1 4.25015488e-01 -1.27853547e+01 -4.69631875e+00 2 5.36785529e+00 6.66066502e+00 -8.78894837e+00 3 1.03987661e+00 -1.24035175e+01 -3.59811983e+00 4 -5.00084676e+00 8.45990104e+00 -1.83333821e+00 5 3.14004668e+00 1.16519055e+00 -3.07157234e+00 6 -5.20713215e+00 4.16215457e+00 -5.64656868e+00 7 4.20904962e-01 -3.11955332e+00 3.06768329e+00 8 1.30742793e+00 8.55066144e-01 2.00542211e+00 9 -2.41831985e+00 -2.02274572e+00 -7.42487845e-01 10 5.22144866e-04 -1.91206347e-01 1.28832919e+00 11 3.10567253e+00 -4.19256390e+00 -8.07176716e-01 12 -2.76233663e+00 2.68052915e+00 -2.77066788e+00 13 -4.39167784e+00 5.18570358e+00 -7.20969780e+00 14 2.31540647e+00 3.06673208e+00 -2.82141178e+00 15 2.47526823e+00 -1.69795466e+00 2.25647292e+00 16 1.66859799e+00 3.31545201e+00 -1.17576330e+00 17 -1.17449312e+00 -9.00001537e+00 6.20130694e+00 18 7.21365888e+00 5.75833392e+00 8.38312398e+00 19 4.34551244e+00 -2.54944743e+00 -9.13056143e-01 20 -5.06551610e+00 4.18711249e+00 -1.83256517e+00 21 3.55410729e+00 -5.60394471e+00 6.39077210e+00 22 -3.98861176e+00 4.57081291e+00 -9.63813978e-02 23 -6.87993503e-01 -4.66654743e+00 4.05400871e+00 24 -2.64958510e+00 -1.31802660e+00 2.63549691e+00 25 -1.63976949e+00 7.60953368e+00 8.13275551e+00 26 -6.89734747e-01 1.34968016e+00 -8.09706937e-01 27 7.25696158e-01 2.79021703e-02 1.87342226e+00 28 -1.45977043e+00 5.03912058e-01 -3.99106403e-01 29 7.61963907e-01 -3.22862952e+00 -4.69990225e+00 30 -3.03360026e+00 -1.82501452e+00 1.82211048e+00 31 2.27648970e+00 1.73061551e+00 -2.72727203e-02 32 2.53650377e-02 3.31522467e+00 3.82915813e+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 18:54:27) ===