!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 ----------------------------------------------------------------------------------------------------- Results for KIM Model : EAM_Dynamo_Vailhe_Farkas_CoAl__MO_284963179498_004 Supported species : Al Co random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Al (Configuration in file "config-F-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 187.461915615 Forces: 1 -7.94269241e+00 -1.83468112e+01 -1.92410299e+01 2 -1.35828419e+01 1.64573134e+01 -1.48382759e+01 3 9.24612465e+00 -1.97551696e+01 -1.02771106e+01 4 -1.15563077e+01 1.17367345e+01 9.04980666e+00 5 7.41521188e+00 -3.00943900e+01 -9.12932592e+00 6 1.34055115e+01 4.75951838e+00 -1.54370793e+01 7 1.47717910e+01 -5.18775245e+01 -4.70709825e+01 8 -2.47464463e+01 -2.05142168e+01 1.13197088e+01 9 -1.53980390e+01 -1.65220836e+01 -2.95394304e+01 10 -8.98448905e+00 3.18123156e+01 -3.56025984e+01 11 8.73339342e-01 -2.58427434e+01 8.91569504e-01 12 -2.05878716e+01 3.46281767e+01 4.39926011e-01 13 -1.73810105e+01 -1.76245078e+01 -7.62663247e+01 14 1.51421172e+01 1.98837234e+01 -1.30032317e+01 15 6.47598457e+01 -1.44219775e+01 1.92102977e+01 16 1.06735351e+01 5.27364834e+01 2.58898765e+01 17 -2.96340928e+01 -1.51285548e+01 -9.19078355e+00 18 8.89382499e+00 2.28667646e+01 -4.68158492e-01 19 1.53851346e+01 -2.16527919e+01 1.87005966e+01 20 -1.22446529e+01 1.64855782e+01 1.52945103e+01 21 -2.61719205e+01 -1.54838149e+01 1.57111698e+01 22 3.28295342e+01 4.54803700e+01 3.96300916e+01 23 7.55551531e+00 -2.58804606e+00 1.22703502e+01 24 1.10164099e+01 -1.03672048e+01 1.05334358e+01 25 -2.48224835e+01 -1.56923061e+01 2.99843687e+01 26 -1.29621995e+01 3.49657165e+01 -1.87536840e+01 27 1.36886535e+01 -5.39328750e+01 1.71532691e+01 28 -5.17990224e+01 4.33327689e+01 8.02312778e+00 29 -1.38629855e+01 -2.59888274e+01 5.83709548e+00 30 1.67233335e+01 2.79157033e+01 7.21910377e+00 31 3.18332461e+01 -1.69492007e+01 2.21833906e+01 32 1.74639270e+01 2.97218791e+01 2.94763205e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Al (Configuration in file "config-T-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 231.171619907 Forces: 1 3.10995014e+01 -2.80543073e+01 8.83376235e+00 2 -5.11149958e+01 -7.75038962e+00 5.70272667e+01 3 6.62200508e+00 3.53091890e+00 -7.10870757e+00 4 2.37799434e+01 1.88198470e+01 -2.74432262e+00 5 1.54686888e+01 -4.87187878e+00 -6.56927950e+00 6 -3.52629516e+01 3.56217244e+01 2.38490516e+00 7 -3.08263902e+00 -4.46658645e+01 -4.38468847e+01 8 -2.14001733e+01 -2.12392290e+01 8.65804608e+00 9 -2.97348243e+01 -3.68735779e+01 3.05885728e+01 10 -2.11385078e+01 1.31018131e+01 -1.53159068e+01 11 -1.66414183e+00 -2.16924450e+01 -1.95483765e+00 12 1.03409666e+01 1.54894052e+01 8.79166523e+00 13 -1.38261287e+01 -1.62394178e+01 -5.88144683e+01 14 -1.69826046e+01 7.92375627e+00 -1.84724407e+01 15 5.03961500e+01 -1.12735729e+01 1.65388265e+01 16 1.24248743e+01 3.83014863e+01 2.44665438e+01 17 1.79230536e+01 -2.80103590e+01 -8.99579124e+00 18 6.51237267e+00 1.87845167e+01 6.21895174e-01 19 1.31567719e+01 4.90851797e+00 1.59245681e+01 20 2.15981431e+01 3.87259870e+01 -1.24131326e+01 21 -2.33820919e+01 -1.33305127e+00 1.47398670e+01 22 -1.09262118e+01 6.09674489e+01 4.32767762e+01 23 -2.86125703e+01 -2.90012516e+01 -8.91509681e+00 24 4.99896592e+01 1.50872939e+01 -5.64777473e+01 25 -1.16715184e+01 -1.74151038e+01 2.71126866e+01 26 -1.03517124e+01 8.92509253e+00 -2.04920357e+01 27 3.43883780e+01 -4.81622004e+01 -2.32588713e+01 28 -4.60738882e+01 4.22551363e+01 -1.63980394e+01 29 -1.15454027e+01 -2.18616855e+01 7.16466074e+00 30 -2.50220824e+00 1.09290225e+01 1.22839386e+01 31 2.42745405e+01 -1.58156372e+01 1.50841206e+01 32 2.12975223e+01 2.08880046e+01 8.27946071e+00 MONOATOMIC STRUCTURE (pbc=False)-- Species = Co (Configuration in file "config-F-Co.xyz") ----------------------------------------------------------------------------------------------------- Energy = -78.5965728485 Forces: 1 -2.29111535e+00 -2.07656124e+00 -2.12400594e+00 2 2.38257588e-01 -1.20942075e+00 -8.53578064e+00 3 3.14971402e+00 -5.54670394e+00 -3.67881792e-01 4 -6.37924211e+00 2.31555050e+00 4.34383551e+00 5 -1.54882514e+00 -3.30110047e+00 -2.83464796e+00 6 4.90082206e+00 -5.43663252e-01 -5.25291575e+00 7 6.61059905e+00 -3.41942657e+00 -2.31417008e+00 8 -1.03728893e+00 -5.18656595e-01 6.32035594e+00 9 -3.97019633e+00 1.46443152e+00 -2.89930900e+00 10 -2.09138946e+00 5.35248296e+00 -6.59410301e+00 11 -2.07340927e+00 -5.29595181e+00 4.44838593e-01 12 -2.78019627e+00 2.07256529e+00 5.62593702e-01 13 2.93088330e+00 1.57784927e-01 -5.46854944e+00 14 2.10584427e+00 7.54433705e-01 -4.43882538e-01 15 6.36820809e+00 5.01574977e+00 -6.67481428e+00 16 5.78554156e+00 5.98108402e+00 -1.24495932e+00 17 -3.84441560e+00 -1.43469257e+00 1.53008959e+00 18 2.98642050e+00 -7.82674171e-01 -4.24684302e+00 19 3.21362562e+00 -6.38305294e+00 1.30865551e+00 20 -4.89329463e+00 3.13575944e+00 3.83895486e+00 21 -3.99537586e+00 -1.96603026e+00 3.92428413e+00 22 4.45615028e+00 -7.72142210e+00 6.05899971e+00 23 1.71318969e+00 -1.49745037e+00 -5.60365852e-01 24 -4.16314667e+00 -3.27252382e+00 2.31932654e+00 25 -4.60600013e+00 -3.09328702e+00 -2.30258063e+00 26 -2.38489245e+00 7.08780328e+00 3.06448254e+00 27 -3.14935757e+00 -3.95892912e+00 4.37093489e+00 28 -1.00654318e+00 3.35011007e+00 4.08914228e+00 29 -5.01901378e+00 1.53953684e+00 1.97408086e+00 30 1.61617055e+00 4.09199367e+00 2.11886573e+00 31 4.88677596e+00 4.42916247e+00 3.67992969e+00 32 4.27150021e+00 5.27309852e+00 1.91543916e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Co (Configuration in file "config-T-Co.xyz") ----------------------------------------------------------------------------------------------------- Energy = -25.1898189825 Forces: 1 -1.40048462e+00 -1.21912598e+01 9.38188510e+00 2 2.15692936e+00 -2.37761980e+00 -3.73588810e+00 3 4.60236355e+00 1.60658986e-01 -9.27213209e-01 4 -1.24330912e+00 4.56937478e-01 5.14950634e+00 5 -7.55680888e+00 1.85636411e-01 6.69320432e+00 6 -1.69410778e+00 -4.49915504e+00 3.94444154e+00 7 1.03380236e-01 1.96230219e+00 -7.58822093e+00 8 -1.40243476e+00 -7.08353422e-01 7.50099808e+00 9 3.54757107e+00 7.62884599e+00 1.82790668e+00 10 -8.06616740e+00 1.08936725e+01 2.41105487e+00 11 -2.39036077e+00 -7.18986441e+00 1.12888179e+00 12 2.42029468e+00 -1.23695972e+00 -5.69185662e+00 13 7.15938581e+00 -2.14426304e+00 9.18815956e+00 14 2.12006190e+00 -3.12063033e+00 2.99096814e+00 15 1.32686896e+00 5.52839747e+00 -6.76198501e+00 16 6.37316820e+00 9.21458103e-01 -3.78242596e+00 17 4.90981269e+00 3.07775659e+00 7.39509262e+00 18 3.19267636e+00 -8.39592041e-01 -5.04627509e+00 19 4.17508756e+00 -4.31155739e+00 -1.26278502e-02 20 -1.93671300e+00 6.97081331e+00 -1.18768037e+01 21 -2.05285477e+00 5.64427765e+00 6.43528280e+00 22 2.64905346e+00 -7.76544395e+00 8.07023863e+00 23 2.04305051e+00 -3.49212478e-01 -9.57112172e+00 24 -6.71501963e+00 -2.84345437e+00 -5.93065826e+00 25 2.25898275e+00 -6.68233680e+00 9.82342479e-02 26 -5.23575079e+00 1.62796735e+00 4.12804365e+00 27 -7.87797307e+00 -8.33092501e+00 -1.20327740e+01 28 1.80252230e+00 4.94308763e+00 2.46155890e+00 29 -5.76461403e+00 1.68956459e+00 2.14413434e+00 30 -7.42542360e+00 7.14786653e-01 5.76734839e+00 31 3.86421545e+00 5.46888654e+00 -6.69086667e+00 32 6.05659736e+00 6.71557808e+00 -7.06822293e+00 MIXED STRUCTURE (pbc=False)-- Species = Al Co (Configuration in file "config-F-AlCo.xyz") ----------------------------------------------------------------------------------------------------- Energy = -20.8970697543 Forces: 1 -1.70604041e+00 -1.59732655e+00 -1.67572367e+00 2 6.66991210e-01 -2.05544257e+00 -1.03128953e+01 3 -6.61685459e+00 -1.02635274e+01 -1.26039100e+01 4 -8.68609575e+00 -1.25237860e+01 -2.07923906e+01 5 3.66284439e+00 -2.56078876e+00 -2.89458887e+00 6 8.05932735e+00 -6.12981666e+00 -5.74616445e+00 7 3.17573037e+00 -5.20415392e+00 -5.46903235e+00 8 -6.84921265e-01 5.03224554e+00 -4.41664440e-01 9 -3.81261119e+00 5.17870554e-01 -1.46141612e+00 10 -8.36703327e-01 8.10879821e+00 -6.71846371e+00 11 9.37035748e+00 -1.95184957e+01 -2.67935960e+01 12 -4.91706202e+00 1.77889383e+00 6.32563351e-01 13 -1.75103878e+00 4.14651860e+00 -6.50400266e+00 14 5.13232870e+00 7.92985089e+00 -7.88231031e+00 15 3.98168972e+00 -7.76473411e+00 6.61140570e+00 16 -5.19168255e+00 5.27000352e+00 2.13988736e+00 17 -8.11126962e+00 -1.07309837e+01 9.16077263e+00 18 5.58327343e+00 -6.47297570e+00 -1.05594384e+01 19 -1.18059334e+01 -3.72241558e+00 2.05194504e+01 20 -9.32745082e+00 -4.85597598e+00 8.39603735e+00 21 2.05706917e+01 -7.50236871e+00 -3.25844030e+00 22 4.71450264e+00 4.74157544e+00 -8.80284096e-01 23 1.73606182e+00 -2.55171269e+00 2.56068296e+00 24 1.85413609e+00 3.08160243e-01 6.87170215e+00 25 -1.90197074e+01 1.46290349e+01 1.79664883e+01 26 4.50461193e+00 3.47728434e+01 2.17948066e+01 27 4.60134237e+00 9.65378522e+00 1.04976769e+01 28 -4.84191122e+00 2.76537904e+00 7.84681863e+00 29 -9.18259260e+00 -1.09353266e+01 2.83658711e+00 30 1.74528438e+01 1.17429084e+01 -8.75287806e-01 31 4.13465076e+00 -6.49279684e-01 4.32932978e+00 32 -2.70950879e+00 3.64124242e+00 2.70539985e+00 MIXED STRUCTURE (pbc=True)-- Species = Al Co (Configuration in file "config-T-AlCo.xyz") ----------------------------------------------------------------------------------------------------- Energy = 8.59221371383 Forces: 1 -2.48490627e-01 5.45268422e-01 2.66468613e-02 2 6.86502556e-01 -1.85855550e+00 -3.22932901e+00 3 1.02113944e+00 2.04888990e+01 -5.30726095e+00 4 -2.11723745e+00 -1.16709212e+01 -1.60959358e+01 5 3.04176145e+00 -8.97045416e-01 9.44394906e-01 6 8.43353782e-01 -7.02053698e+00 -3.15747861e+00 7 -3.03348863e-01 -2.46151551e+00 -7.16119581e+00 8 -1.86644761e+00 4.61661028e+00 -6.29294591e-01 9 2.11858578e+00 3.22806343e+00 6.87540245e+00 10 5.70634722e+00 -9.10054587e+00 1.25169691e+01 11 7.97185892e+00 -1.82795618e+01 -2.47331292e+01 12 2.55342568e+00 -1.14110259e+00 1.26564609e+00 13 -3.49909940e+00 2.05792309e+00 -1.60636158e+00 14 3.95616875e+00 1.00200598e+01 -9.18127506e+00 15 8.03417156e-01 -1.12381752e+01 8.87978002e+00 16 -5.40593241e+00 -3.92392204e-01 2.40866834e+00 17 7.59160498e-01 5.01639747e+00 7.15460711e+00 18 4.15962086e+00 -7.99074627e+00 -1.35788910e+01 19 -1.46622237e-01 9.12168435e+00 8.44267682e+00 20 -3.14273752e+00 -9.33283398e+00 1.35380957e+00 21 1.94765849e+01 1.35417399e+00 -5.00896895e-01 22 -1.34352303e+00 5.12169705e+00 -3.01370223e+00 23 -7.88782106e-01 -1.84504739e+00 4.20553683e+00 24 1.65859602e+00 -1.99926039e-01 3.70807785e+00 25 -6.21694046e+00 4.72037682e+00 1.61819626e+01 26 -9.21188999e-01 9.52344441e+00 2.87221990e+01 27 7.14669038e+00 1.36634588e+01 4.66002451e+00 28 -2.28021339e+01 -1.21689352e+01 -1.70918877e+01 29 -8.76745938e+00 -9.69152277e+00 1.63949259e+00 30 2.56482444e+00 7.88202767e+00 -3.05654446e+00 31 -2.08706747e+00 4.45619310e+00 7.48873091e-01 32 -4.81102636e+00 3.47308620e+00 -1.39158480e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==3149== Memcheck, a memory error detector ==3149== Copyright (C) 2002-2015, and GNU GPL'd, by Julian Seward et al. ==3149== Using Valgrind-3.11.0 and LibVEX; rerun with -h for copyright info ==3149== Command: python runner2.py EAM_Dynamo_Vailhe_Farkas_CoAl__MO_284963179498_004 ==3149== ==3149== ==3149== HEAP SUMMARY: ==3149== in use at exit: 4,106,147 bytes in 5,845 blocks ==3149== total heap usage: 74,250 allocs, 68,405 frees, 72,524,520 bytes allocated ==3149== ==3149== LEAK SUMMARY: ==3149== definitely lost: 0 bytes in 0 blocks ==3149== indirectly lost: 0 bytes in 0 blocks ==3149== possibly lost: 172,751 bytes in 105 blocks ==3149== still reachable: 3,933,396 bytes in 5,740 blocks ==3149== suppressed: 0 bytes in 0 blocks ==3149== Rerun with --leak-check=full to see details of leaked memory ==3149== ==3149== For counts of detected and suppressed errors, rerun with: -v ==3149== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 2408 from 124) ================================================================================ To pass this verification check the number of bytes that are "definitely lost" or "indirectly lost" must be zero. NOTE that Valgrind will typically report non-zero "possibly lost" bytes due to Python's internal memory allocation and garbage collection that it does not monitor. Full Valgrind output written to auxiliary file "valgrind.out" Grade: P Comment: No memory leak detected.