Enter a model name: === Verification check vc-memory-leak start (2022-11-30 11:28:38) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : SNAP_ZuoChenLi_2019_Si__MO_869330304805_000 Supported species : Si random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Si (Configuration in file "config-F-Si.xyz") ----------------------------------------------------------------------------------------------------- Energy = -25.674302521014283 Forces: 1 -7.91412582e+00 -1.27942145e+01 -1.46026928e+01 2 -2.85213920e+00 1.62373603e+01 -7.54000149e+00 3 4.52604952e+00 -7.69375003e+00 1.28907067e+01 4 -7.00872012e+00 1.06278158e+01 1.05678657e+01 5 3.56787045e+00 -1.77647169e+01 -3.82419166e+00 6 8.04622784e+00 8.19461634e+00 -7.16600781e+00 7 1.21111291e+01 -2.74587082e+01 -2.20679125e+01 8 -2.74818658e+01 -2.34127034e+01 -4.98394391e+00 9 -2.94609840e+00 -4.20185000e+00 -1.19114563e+01 10 -1.75209405e+01 1.75859841e+01 -2.21732459e+01 11 -8.59058165e+00 -1.19822675e+01 -3.36228423e+00 12 -4.08882330e+00 1.28811355e+01 -3.55330646e-01 13 1.72441692e+00 -1.72219656e+01 -4.34991262e+01 14 1.58517920e-01 2.85042243e+00 2.10501303e+00 15 4.63912437e+01 8.47671306e+00 -3.96040034e-01 16 1.37975610e+01 3.60282614e+01 1.88640523e+01 17 -7.57824783e+00 -3.29400070e+00 -6.74451979e+00 18 -1.20073994e+01 1.07286984e+01 -1.71537785e+01 19 4.59350085e+00 -1.82127423e+01 1.13787959e+01 20 -4.87438076e+00 9.00824292e+00 6.54517981e+00 21 -1.14829242e+01 -1.38882646e+01 7.72262184e+00 22 1.84149009e+01 1.85330862e+01 1.86115231e+01 23 3.44878559e+00 -1.83093364e+00 8.42579538e+00 24 9.53636397e+00 5.35011600e+00 1.28890226e+01 25 -1.40632483e+01 -1.12572056e+01 8.51559302e+00 26 -5.39657205e+00 2.00152974e+01 -1.28574690e+01 27 3.10995885e+00 -2.74954043e+01 1.14497732e+01 28 -1.82128174e+01 1.52686465e+01 5.29892316e+00 29 -9.60185853e+00 -1.04108138e+01 1.82966451e+01 30 6.65778482e+00 1.17253376e+01 -1.02499759e+00 31 1.61126429e+01 -9.57802608e+00 1.05623816e+01 32 9.42378900e+00 1.49858333e+01 1.55391060e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Si (Configuration in file "config-T-Si.xyz") ----------------------------------------------------------------------------------------------------- Energy = -25.674302521014283 Forces: 1 -7.91412582e+00 -1.27942145e+01 -1.46026928e+01 2 -2.85213920e+00 1.62373603e+01 -7.54000149e+00 3 4.52604952e+00 -7.69375003e+00 1.28907067e+01 4 -7.00872012e+00 1.06278158e+01 1.05678657e+01 5 3.56787045e+00 -1.77647169e+01 -3.82419166e+00 6 8.04622784e+00 8.19461634e+00 -7.16600781e+00 7 1.21111291e+01 -2.74587082e+01 -2.20679125e+01 8 -2.74818658e+01 -2.34127034e+01 -4.98394391e+00 9 -2.94609840e+00 -4.20185000e+00 -1.19114563e+01 10 -1.75209405e+01 1.75859841e+01 -2.21732459e+01 11 -8.59058165e+00 -1.19822675e+01 -3.36228423e+00 12 -4.08882330e+00 1.28811355e+01 -3.55330646e-01 13 1.72441692e+00 -1.72219656e+01 -4.34991262e+01 14 1.58517920e-01 2.85042243e+00 2.10501303e+00 15 4.63912437e+01 8.47671306e+00 -3.96040034e-01 16 1.37975610e+01 3.60282614e+01 1.88640523e+01 17 -7.57824783e+00 -3.29400070e+00 -6.74451979e+00 18 -1.20073994e+01 1.07286984e+01 -1.71537785e+01 19 4.59350085e+00 -1.82127423e+01 1.13787959e+01 20 -4.87438076e+00 9.00824292e+00 6.54517981e+00 21 -1.14829242e+01 -1.38882646e+01 7.72262184e+00 22 1.84149009e+01 1.85330862e+01 1.86115231e+01 23 3.44878559e+00 -1.83093364e+00 8.42579538e+00 24 9.53636397e+00 5.35011600e+00 1.28890226e+01 25 -1.40632483e+01 -1.12572056e+01 8.51559302e+00 26 -5.39657205e+00 2.00152974e+01 -1.28574690e+01 27 3.10995885e+00 -2.74954043e+01 1.14497732e+01 28 -1.82128174e+01 1.52686465e+01 5.29892316e+00 29 -9.60185853e+00 -1.04108138e+01 1.82966451e+01 30 6.65778482e+00 1.17253376e+01 -1.02499759e+00 31 1.61126429e+01 -9.57802608e+00 1.05623816e+01 32 9.42378900e+00 1.49858333e+01 1.55391060e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==2449744== Memcheck, a memory error detector ==2449744== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==2449744== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==2449744== Command: python runner2.py SNAP_ZuoChenLi_2019_Si__MO_869330304805_000 ==2449744== ==2450531== Warning: invalid file descriptor 1024 in syscall close() ==2450531== Warning: invalid file descriptor 1025 in syscall close() ==2450531== Warning: invalid file descriptor 1026 in syscall close() ==2450531== Warning: invalid file descriptor 1027 in syscall close() ==2450531== Use --log-fd= to select an alternative log fd. ==2450531== Warning: invalid file descriptor 1028 in syscall close() ==2450531== Warning: invalid file descriptor 1029 in syscall close() ==2449744== ==2449744== HEAP SUMMARY: ==2449744== in use at exit: 2,257,559 bytes in 1,700 blocks ==2449744== total heap usage: 46,700 allocs, 45,000 frees, 61,871,120 bytes allocated ==2449744== ==2449744== LEAK SUMMARY: ==2449744== definitely lost: 0 bytes in 0 blocks ==2449744== indirectly lost: 0 bytes in 0 blocks ==2449744== possibly lost: 180,827 bytes in 103 blocks ==2449744== still reachable: 2,076,700 bytes in 1,596 blocks ==2449744== of which reachable via heuristic: ==2449744== stdstring : 38 bytes in 1 blocks ==2449744== suppressed: 32 bytes in 1 blocks ==2449744== Rerun with --leak-check=full to see details of leaked memory ==2449744== ==2449744== For lists of detected and suppressed errors, rerun with: -s ==2449744== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 7760 from 558) ================================================================================ 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 11:29:14) ===