Enter a model name: === Verification check vc-memory-leak start (2022-11-30 11:27:52) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : Morse_SigmoidalSmoothed_Jelinek_1972_Ar__MO_071460865933_002 Supported species : Ar random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Ar (Configuration in file "config-F-Ar.xyz") ----------------------------------------------------------------------------------------------------- Energy = 0.7709935496434425 Forces: 1 -1.93179419e-02 -5.48210530e-02 -4.09442306e-02 2 -1.49901764e-02 9.47248301e-03 -4.93628853e-02 3 7.06955000e-03 -5.49413477e-02 -1.96235992e-02 4 -3.84514835e-02 3.12982193e-02 1.99322182e-02 5 1.00502116e-02 -5.69308291e-02 -2.17818885e-02 6 3.22664463e-02 -1.19837541e-03 -3.86317936e-02 7 1.89017944e-02 -7.67804002e-02 -5.48009007e-02 8 -4.54452404e-02 -5.69990559e-02 -3.71295776e-04 9 -4.84827518e-02 3.35503336e-03 -6.36888994e-02 10 -2.05689584e-02 7.91349194e-02 -7.65416906e-02 11 -1.71205320e-02 -5.07578743e-02 1.00333098e-02 12 -5.51929166e-02 8.53803845e-02 -3.09979971e-02 13 7.71082011e-03 2.57652270e-03 -1.14347623e-01 14 3.19879896e-02 3.24661995e-02 -2.28372385e-02 15 1.19981856e-01 1.85544913e-02 1.92003109e-02 16 2.49159070e-02 8.20775039e-02 4.03282420e-02 17 -5.19891031e-02 -2.06416719e-02 4.56322803e-04 18 2.53567221e-03 3.03085235e-02 1.82363960e-02 19 1.44915142e-02 -3.57774156e-02 3.06624459e-02 20 -2.60593059e-02 1.65061460e-02 2.53934017e-02 21 -2.68851694e-02 -4.31537958e-02 2.95469833e-02 22 7.54598231e-02 4.35669642e-02 4.79904792e-02 23 1.98431485e-02 -9.83149316e-03 3.32394568e-02 24 2.52451714e-03 -1.46176803e-02 2.90524773e-02 25 -2.73165932e-02 -6.05929930e-02 5.74184429e-02 26 -1.75311555e-02 6.50867378e-02 -1.12381544e-02 27 1.56592022e-02 -7.46221798e-02 3.77758735e-02 28 -8.66974796e-02 6.42352522e-02 2.04629774e-02 29 -1.34610490e-02 -2.78890736e-02 1.84558166e-02 30 3.86211422e-02 4.37323264e-02 3.52757890e-03 31 5.84817222e-02 -1.54458921e-02 4.42934370e-02 32 2.90085398e-02 4.72494240e-02 5.91620270e-02 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ar (Configuration in file "config-T-Ar.xyz") ----------------------------------------------------------------------------------------------------- Energy = 0.7709935496434425 Forces: 1 -1.93179419e-02 -5.48210530e-02 -4.09442306e-02 2 -1.49901764e-02 9.47248301e-03 -4.93628853e-02 3 7.06955000e-03 -5.49413477e-02 -1.96235992e-02 4 -3.84514835e-02 3.12982193e-02 1.99322182e-02 5 1.00502116e-02 -5.69308291e-02 -2.17818885e-02 6 3.22664463e-02 -1.19837541e-03 -3.86317936e-02 7 1.89017944e-02 -7.67804002e-02 -5.48009007e-02 8 -4.54452404e-02 -5.69990559e-02 -3.71295776e-04 9 -4.84827518e-02 3.35503336e-03 -6.36888994e-02 10 -2.05689584e-02 7.91349194e-02 -7.65416906e-02 11 -1.71205320e-02 -5.07578743e-02 1.00333098e-02 12 -5.51929166e-02 8.53803845e-02 -3.09979971e-02 13 7.71082011e-03 2.57652270e-03 -1.14347623e-01 14 3.19879896e-02 3.24661995e-02 -2.28372385e-02 15 1.19981856e-01 1.85544913e-02 1.92003109e-02 16 2.49159070e-02 8.20775039e-02 4.03282420e-02 17 -5.19891031e-02 -2.06416719e-02 4.56322803e-04 18 2.53567221e-03 3.03085235e-02 1.82363960e-02 19 1.44915142e-02 -3.57774156e-02 3.06624459e-02 20 -2.60593059e-02 1.65061460e-02 2.53934017e-02 21 -2.68851694e-02 -4.31537958e-02 2.95469833e-02 22 7.54598231e-02 4.35669642e-02 4.79904792e-02 23 1.98431485e-02 -9.83149316e-03 3.32394568e-02 24 2.52451714e-03 -1.46176803e-02 2.90524773e-02 25 -2.73165932e-02 -6.05929930e-02 5.74184429e-02 26 -1.75311555e-02 6.50867378e-02 -1.12381544e-02 27 1.56592022e-02 -7.46221798e-02 3.77758735e-02 28 -8.66974796e-02 6.42352522e-02 2.04629774e-02 29 -1.34610490e-02 -2.78890736e-02 1.84558166e-02 30 3.86211422e-02 4.37323264e-02 3.52757890e-03 31 5.84817222e-02 -1.54458921e-02 4.42934370e-02 32 2.90085398e-02 4.72494240e-02 5.91620270e-02 ================================================================================ VALGRIND OUTPUT ================================================================================ ==2440173== Memcheck, a memory error detector ==2440173== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==2440173== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==2440173== Command: python runner2.py Morse_SigmoidalSmoothed_Jelinek_1972_Ar__MO_071460865933_002 ==2440173== ==2440574== Warning: invalid file descriptor 1024 in syscall close() ==2440574== Warning: invalid file descriptor 1025 in syscall close() ==2440574== Warning: invalid file descriptor 1026 in syscall close() ==2440574== Warning: invalid file descriptor 1027 in syscall close() ==2440574== Use --log-fd= to select an alternative log fd. ==2440574== Warning: invalid file descriptor 1028 in syscall close() ==2440574== Warning: invalid file descriptor 1029 in syscall close() ==2440173== ==2440173== HEAP SUMMARY: ==2440173== in use at exit: 2,257,559 bytes in 1,700 blocks ==2440173== total heap usage: 45,712 allocs, 44,012 frees, 58,635,440 bytes allocated ==2440173== ==2440173== LEAK SUMMARY: ==2440173== definitely lost: 0 bytes in 0 blocks ==2440173== indirectly lost: 0 bytes in 0 blocks ==2440173== possibly lost: 180,827 bytes in 103 blocks ==2440173== still reachable: 2,076,700 bytes in 1,596 blocks ==2440173== of which reachable via heuristic: ==2440173== stdstring : 38 bytes in 1 blocks ==2440173== suppressed: 32 bytes in 1 blocks ==2440173== Rerun with --leak-check=full to see details of leaked memory ==2440173== ==2440173== For lists of detected and suppressed errors, rerun with: -s ==2440173== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 7885 from 565) ================================================================================ 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 (2022-11-30 11:28:21) ===