Model Extended KIM ID = === Verification check vc-memory-leak start (2018-05-10 18:05:53) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_Ackland_Mendelev_FeP__MO_884343146310_004 Supported species : Fe P random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Fe (Configuration in file "config-F-Fe.xyz") ----------------------------------------------------------------------------------------------------- Energy = 2.22657662277 Forces: 1 -6.68799206e+00 -5.64227489e+00 -1.07530502e+01 2 -1.02041470e+01 1.73311835e+01 -7.43196802e+00 3 9.99579464e+00 -9.70314026e+00 1.08443310e+00 4 -6.46912330e+00 8.52716954e+00 3.71139156e+00 5 1.22253794e+01 -2.04890060e+01 1.82811748e+00 6 2.48538214e+00 1.26662660e+00 -3.45116028e+00 7 3.56813356e+00 -3.17841163e+01 -3.61701612e+01 8 -1.70948834e+01 -1.28520179e+01 -1.06697159e+01 9 -1.05435106e+01 -7.70330204e+00 -1.79527206e+01 10 -5.57265448e+00 1.79490587e+01 -1.98680004e+01 11 -4.37580084e+00 -1.48673723e+01 1.59872379e+01 12 -7.61873409e+00 1.03738713e+01 8.17146469e+00 13 -1.01846351e+01 -1.43964047e+01 -4.62127167e+01 14 5.48283443e+00 7.15860621e+00 -4.48896832e+00 15 4.08206068e+01 -2.49432196e+00 1.57724957e+01 16 4.98525496e+00 2.85614424e+01 1.81494230e+01 17 -1.44059263e+01 -9.59349488e+00 -5.78634264e+00 18 6.98087759e+00 1.05108370e+01 -3.12353756e+00 19 4.40677815e+00 -9.02097525e+00 8.16823894e+00 20 -3.35958126e+00 8.31073860e+00 1.07084809e+01 21 -1.55818090e+01 -1.06570212e+01 6.72885988e+00 22 2.41473776e+01 2.38901349e+01 2.56726704e+01 23 8.18455491e+00 -3.86161023e+00 9.07332927e+00 24 -5.58407893e+00 7.42655966e-01 4.98468635e+00 25 -8.44357817e+00 -8.26838515e+00 -8.63246028e+00 26 -4.48055251e+00 1.55019478e+01 -9.66953168e+00 27 2.18397297e+01 -3.74129726e+01 1.59662612e+01 28 -3.35529877e+01 3.17264080e+01 4.46142247e+00 29 -8.99728412e+00 1.10216989e+00 1.21605996e+01 30 5.70240279e+00 9.98434961e+00 -1.80168646e+00 31 1.43810193e+01 -6.12351642e+00 1.11361863e+01 32 7.95115289e+00 1.19327319e+01 1.22467218e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Fe (Configuration in file "config-T-Fe.xyz") ----------------------------------------------------------------------------------------------------- Energy = 51.0601104985 Forces: 1 3.54034907e+00 -9.43973559e+00 -4.43387023e+00 2 -1.58234550e+01 1.84599983e+01 1.22774904e+00 3 1.50606093e+01 1.99902889e+00 4.75569539e+00 4 3.89293355e-01 1.12497174e+01 6.19317033e-01 5 2.31298990e+01 -3.79454733e+00 3.09523901e+00 6 -6.82367886e+00 2.37210237e+01 2.71486170e+01 7 -1.38394335e+00 -3.37017506e+01 -4.22726127e+01 8 -1.95247423e+01 -1.25304288e+01 -1.13842398e+01 9 -2.82484866e+01 -2.01964998e+01 1.26085850e+01 10 -1.69357081e+01 6.55199373e+00 -1.35541820e+01 11 -4.29153858e+00 -1.73353001e+01 1.86213472e+01 12 6.09832890e+00 -6.91759748e-01 2.13162803e+01 13 -8.89450528e+00 -1.87586011e+01 -4.38621019e+01 14 -1.52264085e+01 7.98412801e+00 -1.75209301e+01 15 4.00409549e+01 -4.87261376e+00 1.72475025e+01 16 6.92749034e+00 2.67604671e+01 2.18137565e+01 17 3.68861028e+01 -5.10626526e+01 4.73831554e+00 18 8.97764831e+00 1.21270063e+01 -3.79009670e+00 19 5.19004367e+00 2.70601318e+00 9.13086197e+00 20 1.95277264e+01 2.50686902e+01 2.23236106e+00 21 -1.85442560e+01 -5.77724418e+00 8.10329961e+00 22 -2.60309164e+01 6.85364701e+01 1.66798411e+01 23 -1.02407989e+01 -3.38439747e+01 -1.04913264e+01 24 -6.19059372e+00 4.37749681e+00 -7.61859079e+00 25 -4.53920803e+00 -1.09711125e+01 -1.04547996e+01 26 -4.28238033e+00 7.17638805e+00 -1.56801837e+01 27 4.09031575e+01 -4.35829682e+01 -1.09493021e+01 28 -3.97130583e+01 3.74226955e+01 -2.72572375e+00 29 -9.28906719e+00 -1.09936482e-01 1.24482632e+01 30 1.55713733e+00 7.91766615e+00 -1.66194658e+00 31 1.32357792e+01 -6.73372411e+00 1.03529730e+01 32 1.45182253e+01 1.13440664e+01 4.25990186e+00 MONOATOMIC STRUCTURE (pbc=False)-- Species = P (Configuration in file "config-F-P.xyz") ----------------------------------------------------------------------------------------------------- Energy = 364.957606261 Forces: 1 -8.13294731e+00 -9.91017955e+00 -7.94394809e+00 2 8.26267081e+00 -8.77320623e+00 -1.88494082e+01 3 -4.79197913e+00 -2.34446552e+01 -2.34892724e+00 4 -2.36315766e+01 1.50806122e+00 -9.83803504e+00 5 -8.82666765e+00 -2.14169833e+01 -2.45371582e+01 6 2.55347416e+01 5.46608058e+00 -3.55531346e+01 7 3.66723071e+01 -4.23554934e+01 1.15834112e+01 8 -2.13718610e+01 1.20411659e+01 2.19723942e+00 9 -2.29359231e+01 1.07876666e+01 -8.45938143e+00 10 -9.39764442e+00 1.33485985e+01 -1.57960804e+01 11 -7.60316160e+00 1.02710617e+01 -1.07453225e+01 12 -1.39175434e+01 8.87835918e+00 -3.97513462e+00 13 -1.20788281e+01 -7.52486952e+00 -3.51651073e+01 14 2.71102944e+01 3.16533146e+01 -2.43009126e+01 15 2.80144882e+01 -6.92270731e+00 7.08246850e+00 16 -8.92986579e+00 2.68507854e+01 1.34091750e+01 17 -2.24228278e+01 -3.69962302e+01 -1.38143983e+01 18 3.44791462e+00 -7.36850422e+00 -2.31095724e+00 19 9.71068489e+00 -2.64751609e+01 2.47207757e+01 20 -2.92665133e+01 2.07658502e+01 3.28609093e+01 21 -3.88979819e+00 -2.14821378e+01 -3.24791329e-01 22 3.34980800e+01 -5.91399416e+00 7.59658832e+00 23 1.73145915e+01 -1.43915009e+01 1.38190246e+01 24 5.28677049e+00 -3.64415864e+00 2.71420382e+01 25 -3.13855434e+01 1.01057278e+00 -6.62194496e+00 26 6.61351067e+00 2.86690935e+01 -4.80207277e+00 27 2.60932038e-01 1.42004322e+00 2.93632732e+01 28 -1.40863291e+01 9.06743120e+00 1.33821354e+01 29 5.47865905e-02 1.53263422e+01 2.98851129e+00 30 1.77383355e+01 1.94144740e+01 1.08729594e+01 31 1.69135194e+01 3.86725998e+00 1.78138665e+01 32 6.23538199e+00 1.62736205e+01 1.05543387e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = P (Configuration in file "config-T-P.xyz") ----------------------------------------------------------------------------------------------------- Energy = 700.604499606 Forces: 1 -4.10970483e+00 3.95708164e+00 8.72922930e+00 2 7.77540766e+00 -8.01237060e+00 2.43763279e+01 3 -1.08109678e+01 1.00927168e+01 4.91951967e+00 4 -6.12378376e-01 6.76018393e+00 -7.84059136e+00 5 -5.32844455e+00 7.56940573e+00 -5.65651021e+00 6 1.39509453e+01 5.20616974e+00 -1.80695083e+01 7 2.34726664e+01 -2.20817444e+01 1.73242863e+01 8 -2.40677467e+01 1.67901945e+01 6.85820244e+00 9 -5.63267220e+00 5.43223400e+00 1.63633048e+01 10 -1.12483685e+01 -9.66830218e+00 1.72067652e+00 11 -7.82399046e+00 8.89829193e+00 -8.31395507e+00 12 7.52113858e+00 -3.73930018e+00 -4.25120907e+00 13 -3.15046759e+01 -7.43335574e+00 1.07452799e+01 14 2.03380514e+01 1.82463560e+01 -8.07346338e+00 15 1.43670844e+01 -1.05653313e+01 1.58561058e+01 16 -2.01631247e+00 -1.21470472e+01 2.24241383e+01 17 -1.47138100e+01 -1.55520991e+01 -1.81454907e+01 18 5.08362052e+00 -6.85944389e+00 -5.88300410e+00 19 1.12767788e+01 -1.25586132e+01 4.28524017e-01 20 -2.43567860e+01 1.97583514e+01 7.37349704e+00 21 -3.85014717e+00 -5.29794729e+00 -2.96023618e+00 22 1.34226403e+01 -3.69298383e+00 6.19353650e+00 23 1.24744058e+01 2.52307602e+00 -8.31466341e-01 24 5.86006157e+00 -3.91293725e+00 -4.88476108e+00 25 -1.41966553e+01 -1.19888864e+00 -1.03083194e+01 26 1.22662529e+01 -8.91763669e-01 -5.92689640e+00 27 3.96289062e+00 1.01583791e+01 -3.09858762e+00 28 -3.41444628e+00 3.44632739e-01 -5.03990064e+00 29 -1.23430592e+00 1.44413024e+01 -1.72069474e+00 30 -5.13536715e+00 3.18729479e+00 1.18843192e+01 31 2.01944236e+01 -2.96103722e+00 -2.88778265e+01 32 -1.90958818e+00 -6.79250520e+00 -1.53145267e+01 MIXED STRUCTURE (pbc=False)-- Species = Fe P (Configuration in file "config-F-FeP.xyz") ----------------------------------------------------------------------------------------------------- Energy = 84.7581834355 Forces: 1 -2.53553954e+01 -1.90282745e+01 -2.82107868e+01 2 9.93692525e+00 -1.01457311e+01 -2.15166311e+01 3 1.07873177e+01 -1.22067353e+01 1.68080453e+01 4 -3.58550979e+01 -1.26046268e+01 2.12220476e+01 5 4.63488116e+00 -8.22157466e+00 -8.34009771e+00 6 1.37944208e+01 -1.00856635e+01 -8.07998419e+00 7 2.92775871e+00 -3.70806689e+00 -1.14169090e+00 8 2.95224560e+00 -2.13407347e+01 1.15312641e+01 9 -2.11311727e+01 2.07815602e+01 -3.45397813e+01 10 -7.66420437e+00 1.01632555e+01 -1.03807849e+01 11 2.23668233e+01 1.50968796e+01 2.03399508e+01 12 -3.25061620e+01 9.52563137e+00 -2.02931655e+01 13 -7.00025635e+00 8.50845153e+00 -2.75530436e+01 14 1.21540713e+01 1.27868778e+01 -1.03389821e+01 15 2.93378428e+01 -6.85056259e+00 1.24471911e+01 16 -3.24120473e+00 4.98639641e+01 -1.04813811e+01 17 -2.16227132e+01 -1.23666181e+01 -2.03168494e+01 18 6.71879370e+00 3.38031711e+00 -6.08651852e+00 19 1.28436200e+01 -2.07790712e+01 2.48480899e+01 20 -1.82665507e+01 1.05721459e+01 1.45461056e+01 21 1.11822705e+01 -6.72860266e+00 -5.08579436e+00 22 5.27911035e+00 4.52797837e+00 -1.02288597e+01 23 6.45158964e+00 -9.32537852e+00 7.24132720e+00 24 7.71903239e+00 5.70549804e+00 1.23037365e+01 25 -1.69346749e+01 -3.32720197e+00 -9.63079483e+00 26 2.02187846e+01 8.50449710e+00 1.39844114e+01 27 1.03710438e+01 -3.58859887e+00 1.51910351e+01 28 -1.29327981e+01 1.43794551e+01 1.15911450e+01 29 -4.37445259e+00 -2.92074148e+01 3.25850664e+01 30 5.06707747e+00 2.54283607e+00 2.57060404e+00 31 5.28375512e-01 2.13554789e+00 4.47290684e+00 32 1.16126985e+01 1.10399602e+01 1.05422190e+01 MIXED STRUCTURE (pbc=True)-- Species = Fe P (Configuration in file "config-T-FeP.xyz") ----------------------------------------------------------------------------------------------------- Energy = 230.952516804 Forces: 1 -1.99404386e+01 -1.73827496e+01 -9.27738852e+00 2 6.30726988e+00 -9.17590956e+00 -1.09659391e+01 3 2.02059991e+01 9.61108382e+00 2.35282305e+01 4 -2.18471508e+01 -1.16126155e+01 3.05128105e+01 5 6.67990543e+00 -1.22027325e+00 1.02697948e+01 6 -1.66731822e+01 -1.59930762e+01 3.21611967e+01 7 6.99189932e-01 -3.52812092e+00 -2.11118471e+00 8 2.61361339e+00 -2.13210130e+01 1.30867169e+01 9 -1.19325939e+01 2.56065253e+01 -2.64413806e+01 10 -9.04146147e+00 -1.46598604e+01 2.36006613e+00 11 2.47614203e+01 1.51203217e+01 2.26969914e+01 12 -3.94737433e+01 -1.49520696e+01 -2.33517951e+01 13 -3.10479717e+00 1.26051386e+01 -1.65057400e+01 14 3.62940110e+00 1.46981605e+01 5.28113947e-01 15 2.81995100e+01 -5.63872467e+00 1.51172337e+01 16 -2.87479601e+00 4.02328394e+01 -1.20803776e+01 17 -1.56858735e+01 2.95607681e+00 -2.22818647e+01 18 1.28911637e+01 6.17634668e+00 -7.29666088e+00 19 2.15453581e+01 7.47087000e+00 1.93694409e+01 20 2.95635581e+01 2.24776633e+01 -2.40493994e+00 21 1.87947038e+01 1.17682818e+01 -5.92111715e+00 22 -2.44721884e+01 3.47219771e+00 -2.20123634e+01 23 -2.72592511e+01 -3.34744712e+01 -3.28653054e+00 24 5.98420039e+00 8.87505436e+00 -1.55672051e+01 25 -4.24081637e+00 2.33651853e+00 -1.51178799e+01 26 2.25561538e+01 -1.65784967e+01 4.64774317e+00 27 9.28197037e+00 -8.79389755e+00 1.03894880e+00 28 -1.64745088e+01 4.24491828e+00 1.12449885e+01 29 -3.48096158e+00 -3.08068542e+01 3.21021155e+01 30 -7.34885045e+00 -4.13082387e+00 5.50761333e-01 31 -1.15309176e+01 2.07609965e+01 -2.79280017e+01 32 2.16681141e+01 8.55962941e-01 3.33521631e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==9719== Memcheck, a memory error detector ==9719== Copyright (C) 2002-2015, and GNU GPL'd, by Julian Seward et al. ==9719== Using Valgrind-3.11.0 and LibVEX; rerun with -h for copyright info ==9719== Command: python runner2.py EAM_Dynamo_Ackland_Mendelev_FeP__MO_884343146310_004 ==9719== ==9719== ==9719== HEAP SUMMARY: ==9719== in use at exit: 4,106,147 bytes in 5,845 blocks ==9719== total heap usage: 51,028 allocs, 45,183 frees, 90,551,936 bytes allocated ==9719== ==9719== LEAK SUMMARY: ==9719== definitely lost: 0 bytes in 0 blocks ==9719== indirectly lost: 0 bytes in 0 blocks ==9719== possibly lost: 172,751 bytes in 105 blocks ==9719== still reachable: 3,933,396 bytes in 5,740 blocks ==9719== suppressed: 0 bytes in 0 blocks ==9719== Rerun with --leak-check=full to see details of leaked memory ==9719== ==9719== For counts of detected and suppressed errors, rerun with: -v ==9719== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 2415 from 128) ================================================================================ 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. === Verification check vc-memory-leak end (2018-05-10 18:06:14) ===