!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_Zhou_Johnson_Al__MO_131650261510_004 Supported species : Al 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 = 14.9350549516 Forces: 1 -3.27320938e+00 -8.23322239e+00 -6.97875246e+00 2 -2.35835487e+00 1.71350726e+00 -8.35281944e+00 3 3.11507481e+00 -8.21616072e+00 -2.91622646e+00 4 -6.58474368e+00 5.10304748e+00 4.30554044e+00 5 1.39850167e+00 -9.60100278e+00 -4.37775818e+00 6 5.63186770e+00 1.12182310e+00 -6.59055231e+00 7 5.84009488e+00 -1.34612730e+01 -8.55704325e+00 8 -5.25686150e+00 -5.95239149e+00 1.97413940e+00 9 -8.15206838e+00 -7.90947431e-02 -9.96430187e+00 10 -3.13146484e+00 1.25888492e+01 -1.09970411e+01 11 -4.40113048e+00 -7.06108301e+00 5.55356005e+00 12 -6.68896446e+00 8.94158438e+00 -2.56090724e+00 13 1.77335480e-01 -3.69297349e+00 -2.16058178e+01 14 5.67480903e+00 6.39750294e+00 -4.97251101e+00 15 1.90275731e+01 -2.71071289e+00 2.83847149e+00 16 1.52986687e+00 1.68551000e+01 5.39454802e+00 17 -9.90089752e+00 -4.84163514e+00 7.78603949e-01 18 2.73557547e+00 6.00595891e+00 1.18035865e+00 19 8.58137117e-01 -7.56165388e+00 5.10838662e+00 20 -4.76932911e+00 2.77241727e+00 4.56408624e+00 21 -5.13549095e+00 -8.10275479e+00 2.33057237e+00 22 1.10025291e+01 8.91124698e+00 7.37968062e+00 23 4.91903954e+00 -2.63902804e+00 5.26129881e+00 24 -6.81308425e-01 3.64601585e+00 5.69494368e+00 25 -7.57310902e+00 -6.68583264e+00 2.07996094e+00 26 -2.26019300e+00 1.22003468e+01 -3.57094217e+00 27 3.69473844e+00 -1.34730032e+01 8.78872467e+00 28 -1.22293178e+01 1.02101506e+01 4.57010750e+00 29 -3.41652638e+00 -7.26996549e+00 4.24799244e+00 30 6.99151593e+00 8.85484328e+00 1.95633489e+00 31 8.68818572e+00 -4.04800088e+00 7.78168410e+00 32 4.52812498e+00 8.30739460e+00 9.65567842e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Al (Configuration in file "config-T-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 102.833416366 Forces: 1 9.87468129e+00 -1.16653252e+01 1.76637301e+00 2 -7.73821691e+00 4.04500514e+00 4.35856852e+00 3 3.26924705e+00 2.64967805e+00 -2.28976646e+00 4 6.30064361e+00 8.77254914e+00 6.54633854e+00 5 3.44576210e+00 -2.70865926e+00 4.59435959e-01 6 -1.08410427e+01 1.21458174e+01 2.62549251e+00 7 -3.05326427e+00 -9.39767735e+00 -8.72517162e+00 8 -6.47245369e+00 -5.56857684e+00 2.94945437e+00 9 -1.04505500e+01 -6.70742382e+00 5.12224498e+00 10 -5.50834908e+00 6.39273066e+00 -3.76990655e+00 11 -4.01152672e+00 -7.93055770e+00 7.02868152e+00 12 2.31155509e+00 1.92082602e+00 -5.10635755e+00 13 5.00119724e-01 -5.74276120e+00 -1.57128526e+01 14 -7.30975813e-01 1.92130342e+00 -4.60921725e+00 15 1.27657656e+01 -3.44068091e+00 3.06071460e+00 16 2.31294057e+00 9.53436026e+00 6.55573933e+00 17 4.18344280e+00 -5.04801065e+00 2.63342400e+00 18 4.11991796e+00 6.93544847e+00 7.59862648e-01 19 1.33948015e+00 1.79090631e+00 2.06231557e+00 20 8.38999609e+00 1.22387112e+01 -4.75786754e+00 21 -5.92594645e+00 -4.84263602e-01 2.75155961e+00 22 -1.04410118e+00 1.61539986e+01 8.19067808e+00 23 -7.62437038e+00 -1.32400046e+01 -7.58593982e+00 24 4.37731831e+00 6.03224990e+00 -9.74628969e+00 25 -8.44792467e-01 -9.15251169e+00 2.18610753e+00 26 -1.11161376e+00 2.30051085e+00 -5.04946892e+00 27 8.90934055e+00 -1.52322900e+01 -4.85533336e+00 28 -1.23430194e+01 9.83185254e+00 -2.79925142e+00 29 -3.75665009e+00 -8.02646136e+00 4.06242815e+00 30 -2.76146354e+00 2.14492075e+00 5.86510373e+00 31 5.03836289e+00 -5.20830334e+00 4.33094683e+00 32 7.07976259e+00 4.74263885e+00 1.69195333e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==15517== Memcheck, a memory error detector ==15517== Copyright (C) 2002-2015, and GNU GPL'd, by Julian Seward et al. ==15517== Using Valgrind-3.11.0 and LibVEX; rerun with -h for copyright info ==15517== Command: python runner2.py EAM_Dynamo_Zhou_Johnson_Al__MO_131650261510_004 ==15517== ==15517== ==15517== HEAP SUMMARY: ==15517== in use at exit: 4,107,219 bytes in 5,848 blocks ==15517== total heap usage: 52,123 allocs, 46,275 frees, 50,381,973 bytes allocated ==15517== ==15517== LEAK SUMMARY: ==15517== definitely lost: 0 bytes in 0 blocks ==15517== indirectly lost: 0 bytes in 0 blocks ==15517== possibly lost: 172,767 bytes in 105 blocks ==15517== still reachable: 3,934,452 bytes in 5,743 blocks ==15517== suppressed: 0 bytes in 0 blocks ==15517== Rerun with --leak-check=full to see details of leaked memory ==15517== ==15517== For counts of detected and suppressed errors, rerun with: -v ==15517== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 2397 from 126) ================================================================================ 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.