!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : Pair_Morse_Shifted_GirifalcoWeizer_LowCutoff_Cs__MO_256406354561_001 Supported species : Cs random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Cs (Configuration in file "config-F-Cs.xyz") ----------------------------------------------------------------------------------------------------- Energy = 537.481224463 Forces: 1 -1.09590960e+01 -8.58163416e+00 -1.15475246e+01 2 -1.94220101e+00 -3.04309988e+00 -1.63280920e+01 3 -3.98408444e+00 -1.63519095e+01 -1.93379473e+00 4 -1.57064219e+01 5.71863258e-01 -2.66800540e+00 5 3.24915018e+00 -1.49468544e+01 -1.13498293e+01 6 1.08797077e+01 -3.13104769e+00 -1.30191627e+01 7 1.33052100e+01 -1.30191587e+01 -5.06606080e+00 8 3.63339706e+00 -2.82101288e+00 -2.73116154e+00 9 -1.05121833e+01 1.41728500e+00 -1.42605748e+01 10 -3.56423581e+00 1.43776133e+01 -1.18767252e+01 11 -5.22445458e+00 1.39684381e+00 -3.33199796e+00 12 -1.35941236e+01 1.03343720e+01 -2.32024665e+00 13 4.23046515e+00 1.84964370e+00 -1.74110654e+01 14 9.53950398e+00 9.00350928e+00 -8.66650041e+00 15 1.62515401e+01 3.26218863e+00 -2.96883807e+00 16 3.29736030e+00 1.69875831e+01 -2.21972785e+00 17 -1.34229805e+01 -9.57336817e+00 2.91124810e+00 18 -4.01760507e+00 -4.02028909e+00 4.58095892e+00 19 -2.73408730e+00 -1.30572666e+01 1.14463457e+01 20 -1.06375889e+01 -1.38825763e+00 1.09222472e+01 21 3.50141516e+00 -1.58970533e+01 5.02018185e+00 22 1.69328485e+01 -2.38560511e+00 4.29356124e+00 23 9.86965175e+00 -6.02208520e+00 1.06307927e+01 24 2.06132409e+00 -1.83208896e+00 1.54701922e+01 25 -1.43816455e+01 2.66670868e+00 2.40319705e+00 26 -3.15845865e+00 1.63782758e+01 3.49286878e+00 27 -4.07750466e+00 1.04537831e+00 1.44036894e+01 28 -1.03956974e+01 7.99832984e+00 7.77530151e+00 29 4.20223745e+00 3.50219432e+00 6.25982100e+00 30 1.22745325e+01 1.18745203e+01 3.10334484e+00 31 1.17938947e+01 2.50121826e+00 1.18963062e+01 32 3.29012995e+00 1.09032036e+01 1.30892507e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Cs (Configuration in file "config-T-Cs.xyz") ----------------------------------------------------------------------------------------------------- Energy = 628.967339666 Forces: 1 5.82817299e-01 -1.36693397e+00 -1.61402655e+00 2 6.86730098e-01 3.89462925e+00 -2.18437605e+00 3 1.66433147e+00 -5.10440442e-01 3.31435414e+00 4 6.32645914e-01 6.28208158e+00 1.96935944e+00 5 8.64558238e-01 -2.41794382e-02 -2.03991401e+00 6 -2.44910007e+00 5.27626389e+00 -2.90847467e-02 7 -3.62683162e-01 -2.12676427e+00 -6.93174436e-01 8 -2.05871982e+00 2.65227277e+00 1.39571050e+00 9 -2.33527102e+00 -4.36431466e+00 -9.56217663e-02 10 -1.21407765e-01 9.02573103e-02 -2.05679329e+00 11 -1.90108149e+00 -2.54201950e+00 1.67118664e+00 12 -1.09135856e+00 -2.28097925e+00 2.94808522e+00 13 6.70971006e-01 -3.51679873e+00 -3.94199683e+00 14 -1.34734570e+00 -9.86538253e-01 -1.89241030e+00 15 3.54025778e+00 -1.84159657e+00 1.59171919e+00 16 1.34928792e+00 1.08507897e+00 3.18587043e+00 17 2.58879177e+00 -2.18721746e+00 2.81002039e-01 18 1.00684566e+00 3.85286985e+00 6.60369475e-01 19 9.76205755e-01 2.43835086e-01 4.06732603e-01 20 3.84527341e+00 6.30344955e+00 -1.55329981e+00 21 -1.74371078e+00 -1.05287563e+00 1.60903251e+00 22 -8.66974607e-01 6.39770311e+00 2.05558138e+00 23 -4.34214152e+00 -1.86826262e+00 -1.38802722e+00 24 -1.74844171e-01 3.24471774e+00 -1.67028374e+00 25 -2.27486894e+00 -3.24101120e+00 9.83667251e-02 26 4.29131342e-01 1.30419723e-01 -7.44144237e-01 27 1.19291942e+00 -4.53036684e+00 -1.88595061e+00 28 -1.57346932e+00 -8.39927620e-01 -1.65278521e+00 29 3.10630800e-03 -2.07606315e+00 2.52842624e+00 30 2.14973326e-01 -1.63759095e+00 6.86086274e-01 31 9.45584847e-01 -2.52230074e+00 -7.92735641e-02 32 1.44854536e+00 6.26024503e-02 -8.80720429e-01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==20084== Memcheck, a memory error detector ==20084== Copyright (C) 2002-2015, and GNU GPL'd, by Julian Seward et al. ==20084== Using Valgrind-3.11.0 and LibVEX; rerun with -h for copyright info ==20084== Command: python runner2.py Pair_Morse_Shifted_GirifalcoWeizer_LowCutoff_Cs__MO_256406354561_001 ==20084== ==20084== Warning: set address range perms: large range [0x21029000, 0x31529000) (defined) ==20084== Warning: set address range perms: large range [0x2126d000, 0x31529000) (defined) ==20084== Warning: set address range perms: large range [0x21029000, 0x31529000) (noaccess) ==20084== Warning: set address range perms: large range [0x23029000, 0x33529000) (defined) ==20084== Warning: set address range perms: large range [0x2326d000, 0x33529000) (defined) ==20084== Warning: set address range perms: large range [0x23029000, 0x33529000) (noaccess) ==20084== Warning: set address range perms: large range [0x23029000, 0x33529000) (defined) ==20084== Warning: set address range perms: large range [0x2326d000, 0x33529000) (defined) ==20084== Warning: set address range perms: large range [0x23029000, 0x33529000) (noaccess) ==20084== ==20084== HEAP SUMMARY: ==20084== in use at exit: 4,041,994 bytes in 5,776 blocks ==20084== total heap usage: 58,294 allocs, 52,518 frees, 57,767,283 bytes allocated ==20084== ==20084== LEAK SUMMARY: ==20084== definitely lost: 0 bytes in 0 blocks ==20084== indirectly lost: 0 bytes in 0 blocks ==20084== possibly lost: 162,838 bytes in 96 blocks ==20084== still reachable: 3,879,156 bytes in 5,680 blocks ==20084== suppressed: 0 bytes in 0 blocks ==20084== Rerun with --leak-check=full to see details of leaked memory ==20084== ==20084== For counts of detected and suppressed errors, rerun with: -v ==20084== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 2390 from 159) ================================================================================ 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.