Enter a model name: === Verification check vc-memory-leak start (2022-11-29 20:36:31) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_AgrawalMirzaeifar_2021_CuC__MO_028979335952_001 Supported species : C Cu 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 = 84.96447050221587 Forces: 1 8.49718514e-01 2.63422610e+00 -4.41646930e+00 2 -7.74513650e+00 1.23850976e+00 -2.71431827e+01 3 1.51789577e+00 -1.68389477e+01 2.82211142e+00 4 -1.61382461e+01 -3.18440521e+00 1.95694568e-01 5 5.37055578e-01 1.79723469e+00 8.06322386e+00 6 2.28804703e+00 -9.25016418e+00 -6.50296610e+00 7 2.15892133e-01 -1.29629788e+00 8.00865515e+00 8 7.26700669e+00 -1.01112750e+01 -7.89247254e+00 9 -6.40391684e+00 -6.85551151e-01 -6.03654633e+00 10 -2.89558270e+00 1.65132198e+01 -9.49295116e+00 11 -1.38059649e+01 -1.19780832e+01 4.20938365e-01 12 -1.12844318e+01 4.11904727e+00 -2.77225355e+00 13 1.12083775e+01 4.21786115e+00 -2.45765478e+01 14 1.11343340e+01 2.22843613e+00 -1.05433924e+01 15 2.11194742e+01 7.46851293e+00 6.71808399e+00 16 -2.10942226e+01 2.12863047e+01 5.52219046e+00 17 -6.39035048e+00 -8.14153729e+00 -5.82326966e+00 18 1.41269672e+00 1.09894193e+00 1.77188620e-01 19 1.01087117e+00 -4.67881638e+00 7.15624990e+00 20 -7.35194689e+00 1.70759100e+00 1.19282669e+01 21 3.02038386e+00 -1.99109746e+01 4.61603315e+00 22 2.81543690e+01 -3.37979116e+00 2.47607202e+00 23 -1.52528744e+00 -1.15050609e+00 -2.32160742e-01 24 3.56159621e-02 -5.68104053e+00 6.50944271e+00 25 -5.49556658e+00 4.46253165e+00 -6.39475877e+00 26 1.61708807e+01 1.03145605e+01 -1.27352836e+00 27 -3.08581494e+00 6.94412550e+00 1.38706287e+01 28 -1.79783926e+01 3.36772771e+00 1.53003474e+01 29 -1.75591849e+00 -5.64695835e+00 1.11311370e+01 30 1.77867149e+01 3.45164025e+00 -4.28443104e-01 31 -1.63993684e+00 8.56425907e+00 1.07948550e+00 32 8.61382069e-01 5.19618605e-01 7.53319284e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = C (Configuration in file "config-T-C.xyz") ----------------------------------------------------------------------------------------------------- Energy = 84.96447050221587 Forces: 1 8.49718514e-01 2.63422610e+00 -4.41646930e+00 2 -7.74513650e+00 1.23850976e+00 -2.71431827e+01 3 1.51789577e+00 -1.68389477e+01 2.82211142e+00 4 -1.61382461e+01 -3.18440521e+00 1.95694568e-01 5 5.37055578e-01 1.79723469e+00 8.06322386e+00 6 2.28804703e+00 -9.25016418e+00 -6.50296610e+00 7 2.15892133e-01 -1.29629788e+00 8.00865515e+00 8 7.26700669e+00 -1.01112750e+01 -7.89247254e+00 9 -6.40391684e+00 -6.85551151e-01 -6.03654633e+00 10 -2.89558270e+00 1.65132198e+01 -9.49295116e+00 11 -1.38059649e+01 -1.19780832e+01 4.20938365e-01 12 -1.12844318e+01 4.11904727e+00 -2.77225355e+00 13 1.12083775e+01 4.21786115e+00 -2.45765478e+01 14 1.11343340e+01 2.22843613e+00 -1.05433924e+01 15 2.11194742e+01 7.46851293e+00 6.71808399e+00 16 -2.10942226e+01 2.12863047e+01 5.52219046e+00 17 -6.39035048e+00 -8.14153729e+00 -5.82326966e+00 18 1.41269672e+00 1.09894193e+00 1.77188620e-01 19 1.01087117e+00 -4.67881638e+00 7.15624990e+00 20 -7.35194689e+00 1.70759100e+00 1.19282669e+01 21 3.02038386e+00 -1.99109746e+01 4.61603315e+00 22 2.81543690e+01 -3.37979116e+00 2.47607202e+00 23 -1.52528744e+00 -1.15050609e+00 -2.32160742e-01 24 3.56159621e-02 -5.68104053e+00 6.50944271e+00 25 -5.49556658e+00 4.46253165e+00 -6.39475877e+00 26 1.61708807e+01 1.03145605e+01 -1.27352836e+00 27 -3.08581494e+00 6.94412550e+00 1.38706287e+01 28 -1.79783926e+01 3.36772771e+00 1.53003474e+01 29 -1.75591849e+00 -5.64695835e+00 1.11311370e+01 30 1.77867149e+01 3.45164025e+00 -4.28443104e-01 31 -1.63993684e+00 8.56425907e+00 1.07948550e+00 32 8.61382069e-01 5.19618605e-01 7.53319284e+00 MONOATOMIC STRUCTURE (pbc=False)-- Species = Cu (Configuration in file "config-F-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 17.80107717643363 Forces: 1 -4.09027331e+00 -3.72413864e+00 -5.45164422e+00 2 7.06715110e+00 -4.96798646e+00 -3.90391913e+00 3 3.08610727e+00 -6.79165000e+00 2.12747145e+00 4 -9.54150497e+00 7.03830316e+00 -3.84750423e+00 5 -6.07017765e+00 -9.23244744e+00 -1.12412585e+01 6 1.31539329e+01 5.86476915e+00 -1.91995318e+01 7 2.38176966e+01 -2.73954947e+01 8.21721012e+00 8 -2.31227264e+01 1.55016550e+01 6.37796120e+00 9 -8.01000046e+00 6.30640116e+00 -4.88520318e-01 10 -9.65005225e-01 9.72718136e-01 -8.67278756e+00 11 -1.60360059e+00 1.48827508e+01 -1.47926721e+01 12 -5.52701968e+00 3.25642358e-01 3.63671022e+00 13 -1.40656011e+01 -8.37801706e+00 -1.49104642e+01 14 1.69366330e+01 1.82636293e+01 -1.12370207e+01 15 9.55692457e+00 -7.23682671e+00 5.11869903e+00 16 -5.37710608e+00 8.29315214e+00 1.22471932e+01 17 -9.24141815e+00 -2.46403071e+01 -1.38555537e+01 18 7.94435246e-01 -1.23154884e+01 1.22024825e+01 19 6.22294633e+00 -8.66266392e+00 8.11584562e+00 20 -7.71539431e+00 2.11412333e+01 1.77263912e+01 21 -9.61967639e+00 -6.92057891e+00 -6.99891845e+00 22 1.21823806e+01 -2.48195645e+00 3.24138625e+00 23 1.20732636e+01 -9.23834131e+00 6.76627252e+00 24 -4.00774838e+00 3.96054534e+00 1.13295673e+01 25 -1.50243296e+01 -6.44436401e+00 -9.81799644e+00 26 5.26239496e+00 1.30991159e+01 -7.15626619e+00 27 3.88835653e+00 -5.41208305e+00 1.44341138e+01 28 -5.76340296e+00 5.58623054e+00 5.66135565e+00 29 1.27634276e+00 7.24046237e+00 -2.97179784e+00 30 4.29930927e+00 7.54341314e+00 7.00875799e+00 31 7.02335025e+00 3.78154452e+00 6.37730439e+00 32 3.10376039e+00 4.04077795e+00 3.95713284e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Cu (Configuration in file "config-T-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 17.80107717643363 Forces: 1 -4.09027331e+00 -3.72413864e+00 -5.45164422e+00 2 7.06715110e+00 -4.96798646e+00 -3.90391913e+00 3 3.08610727e+00 -6.79165000e+00 2.12747145e+00 4 -9.54150497e+00 7.03830316e+00 -3.84750423e+00 5 -6.07017765e+00 -9.23244744e+00 -1.12412585e+01 6 1.31539329e+01 5.86476915e+00 -1.91995318e+01 7 2.38176966e+01 -2.73954947e+01 8.21721012e+00 8 -2.31227264e+01 1.55016550e+01 6.37796120e+00 9 -8.01000046e+00 6.30640116e+00 -4.88520318e-01 10 -9.65005225e-01 9.72718136e-01 -8.67278756e+00 11 -1.60360059e+00 1.48827508e+01 -1.47926721e+01 12 -5.52701968e+00 3.25642358e-01 3.63671022e+00 13 -1.40656011e+01 -8.37801706e+00 -1.49104642e+01 14 1.69366330e+01 1.82636293e+01 -1.12370207e+01 15 9.55692457e+00 -7.23682671e+00 5.11869903e+00 16 -5.37710608e+00 8.29315214e+00 1.22471932e+01 17 -9.24141815e+00 -2.46403071e+01 -1.38555537e+01 18 7.94435246e-01 -1.23154884e+01 1.22024825e+01 19 6.22294633e+00 -8.66266392e+00 8.11584562e+00 20 -7.71539431e+00 2.11412333e+01 1.77263912e+01 21 -9.61967639e+00 -6.92057891e+00 -6.99891845e+00 22 1.21823806e+01 -2.48195645e+00 3.24138625e+00 23 1.20732636e+01 -9.23834131e+00 6.76627252e+00 24 -4.00774838e+00 3.96054534e+00 1.13295673e+01 25 -1.50243296e+01 -6.44436401e+00 -9.81799644e+00 26 5.26239496e+00 1.30991159e+01 -7.15626619e+00 27 3.88835653e+00 -5.41208305e+00 1.44341138e+01 28 -5.76340296e+00 5.58623054e+00 5.66135565e+00 29 1.27634276e+00 7.24046237e+00 -2.97179784e+00 30 4.29930927e+00 7.54341314e+00 7.00875799e+00 31 7.02335025e+00 3.78154452e+00 6.37730439e+00 32 3.10376039e+00 4.04077795e+00 3.95713284e+00 MIXED STRUCTURE (pbc=False)-- Species = C Cu (Configuration in file "config-F-CCu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 26.85240394085917 Forces: 1 -4.11182190e+00 -7.56157507e+00 -7.55224077e+00 2 -3.77431394e-01 1.06292870e+01 -7.28982726e+00 3 -6.03521187e+00 -1.85289844e+01 -1.80116491e+01 4 -9.22128448e+00 8.12847960e+00 -1.02464558e+01 5 3.32441216e+00 -6.09639352e+00 1.06150488e-01 6 4.11500781e+00 3.17076844e+00 2.32905791e-01 7 8.53041533e+00 -7.52630359e+00 -1.30895344e+00 8 8.12462969e-01 4.67767365e+00 1.68080735e+00 9 -1.03643587e+01 -1.97672350e+01 -6.12650514e+00 10 1.00092615e+01 1.39404378e+01 -1.36253303e+01 11 -8.79107930e+00 1.41254204e+01 -5.93706480e+00 12 -1.60215261e+01 1.02193651e+01 4.31340077e+00 13 -5.84833784e+00 -3.66931770e+00 -1.28936354e+01 14 6.63461345e+00 5.77376579e+00 -3.08749172e+00 15 6.66147031e+00 -1.34979996e-01 -1.63144336e+00 16 2.70335836e+01 -2.87910371e+00 -9.61892106e+00 17 -1.36203060e+01 -1.99258462e+01 1.14291493e+01 18 1.22677503e+00 1.92893950e+01 1.30726744e+01 19 1.53599525e+01 -2.27604084e+01 7.52053751e+00 20 -2.02671692e+01 1.92674083e+01 5.76265622e+00 21 -6.61598510e+00 -1.05597781e+01 -6.23371231e+00 22 2.41885354e+01 1.13831843e+01 -6.10358672e+00 23 4.04406870e+00 -5.33841473e+00 5.83254644e+00 24 -1.01682442e+01 2.30431696e+00 1.70291115e+01 25 -6.95649015e+00 -1.10234154e+01 1.10690405e+01 26 -1.62650709e+01 1.26069757e+01 1.06015260e+01 27 -1.02066965e+00 -2.86662882e+00 7.04637643e+00 28 -3.12207761e+00 2.50760342e+00 3.57133509e+00 29 1.58475726e+01 -4.58208234e+00 2.14358890e+00 30 6.87253408e+00 3.32956328e+00 1.77156287e+00 31 1.62282771e+00 9.95744183e-01 3.40237266e+00 32 2.52357110e+00 8.71077939e-01 3.08107504e+00 MIXED STRUCTURE (pbc=True)-- Species = C Cu (Configuration in file "config-T-CCu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 82.01197848983969 Forces: 1 -7.12667429e+00 -1.04712474e+01 7.56273338e+00 2 1.50762578e+01 4.06789506e+00 -1.39350727e+00 3 -1.22046733e+01 -2.82664449e+00 -2.09945496e+01 4 6.70183669e+00 1.11092497e+00 -1.22219542e+01 5 -4.38336691e+00 -5.91121827e+00 2.63453948e+01 6 4.28154488e+00 4.37788572e+00 1.40703486e+00 7 2.04896113e+00 -1.63916762e+00 -4.26662087e-01 8 -6.68226248e-01 4.72314434e+00 6.01153055e-01 9 -7.72939197e+00 -2.31112903e+01 -1.33707269e+00 10 1.53684127e+01 5.29342196e+00 -4.01828668e+00 11 -1.03052520e+01 1.44270914e+01 -5.29811204e+00 12 2.66053021e-02 5.75697479e+00 2.51395314e+00 13 -6.19631599e+00 -1.25265606e+00 -1.19058605e+01 14 -3.69105023e+00 7.27376729e+00 -7.78768354e+00 15 -1.69588868e+00 2.01955821e+00 -2.89836850e+00 16 3.01030626e+01 -1.11024185e+01 -1.36538322e+01 17 -4.44812366e+00 -1.25932346e+01 8.99569719e+00 18 1.70592952e+00 1.64139302e+01 1.42609423e+01 19 1.97019601e+01 -2.00662697e+01 -7.86503730e+00 20 -1.79778991e+01 2.65798250e+01 -6.92042862e+00 21 -6.44300297e+00 7.83242658e-01 -3.18706639e+00 22 1.31744491e+01 4.90448743e+00 1.39017157e+00 23 -1.91738949e+00 -9.77658793e+00 1.52789564e+00 24 -1.28487042e+01 1.09453885e+01 1.45221502e+00 25 1.60413051e+00 -5.56050490e+00 1.19298530e+01 26 -1.65156024e+01 8.57898452e+00 8.72690335e+00 27 -3.11105756e+00 -4.16141530e+00 6.73703888e+00 28 -6.89525983e+00 -4.81764249e-01 -3.30939221e+00 29 1.62578127e+01 -4.80058945e+00 2.29317191e+00 30 -7.32206197e+00 2.68801762e+00 1.16317225e+01 31 3.71545953e+00 -3.13266286e+00 -7.15795624e+00 32 1.71351821e+00 -3.05686791e+00 2.99988955e+00 ERROR: Unable to perform verification check. Message = [Errno 12] Cannot allocate memory === Verification check vc-memory-leak end (2022-11-29 20:36:33) ===