Enter a model name: === Verification check vc-memory-leak start (2022-11-30 10:16:40) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : SW_ZhangXieHu_2014OptimizedSW2_Si__MO_475612090600_005 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 = 387.47554379499644 Forces: 1 -1.58135261e+01 -1.93175683e+01 -2.40759441e+01 2 -2.47360653e+00 -2.78223040e+00 -4.10396554e+01 3 -5.88135204e+00 -4.17950613e+01 -1.08226974e+01 4 -4.03558240e+01 3.48063790e+00 8.73169405e-01 5 5.22949867e+00 -2.63438667e+01 -2.21075994e+01 6 2.27298931e+01 -6.78145652e+00 -2.62792195e+01 7 2.38513410e+01 -2.97724276e+01 -1.55777690e+01 8 -9.45644707e+00 -3.15927038e+01 1.81385699e+00 9 -2.57354783e+01 4.33158399e-01 -3.25566197e+01 10 -1.94597289e+01 3.54788371e+01 -4.12308492e+01 11 -3.94874560e+01 -9.31169081e+00 -1.03510812e+01 12 -3.59067815e+01 2.28179725e+01 -3.49334064e+00 13 1.63050283e+01 -1.46886070e+01 -7.55729479e+01 14 2.73022142e+01 1.91915225e+01 -2.20606990e+01 15 7.48167647e+01 4.77246938e+00 -1.32883563e+01 16 7.30436033e+00 7.55245700e+01 -1.19130918e+00 17 -3.22800569e+01 -2.22206179e+01 -3.09553633e+00 18 -1.05357352e+00 -5.00754906e+00 8.00997217e+00 19 6.49500680e+00 -3.13415728e+01 3.27707086e+01 20 -2.95737022e+01 8.02116159e+00 2.56494889e+01 21 5.75857045e+00 -3.95295365e+01 1.73421567e+01 22 5.25000239e+01 -9.63630998e+00 6.32273695e+00 23 1.06585923e+01 -1.00895598e+01 1.75132745e+01 24 3.66667891e+00 -1.41058064e+01 4.82015691e+01 25 -4.73657592e+01 3.60118527e+00 2.56853002e+00 26 -9.03654651e+00 5.34508421e+01 6.80899401e+00 27 -1.03641565e+01 -1.42776150e+01 4.58579085e+01 28 -3.80978271e+01 2.34470137e+01 1.57613143e+01 29 1.87578599e+01 1.31923291e+01 2.89304549e+01 30 3.86358055e+01 3.41768399e+01 1.01230354e+01 31 3.28889716e+01 1.64396325e+00 4.09067283e+01 32 1.54412126e+01 2.93616773e+01 3.32897255e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Si (Configuration in file "config-T-Si.xyz") ----------------------------------------------------------------------------------------------------- Energy = 387.47554379499644 Forces: 1 -1.58135261e+01 -1.93175683e+01 -2.40759441e+01 2 -2.47360653e+00 -2.78223040e+00 -4.10396554e+01 3 -5.88135204e+00 -4.17950613e+01 -1.08226974e+01 4 -4.03558240e+01 3.48063790e+00 8.73169405e-01 5 5.22949867e+00 -2.63438667e+01 -2.21075994e+01 6 2.27298931e+01 -6.78145652e+00 -2.62792195e+01 7 2.38513410e+01 -2.97724276e+01 -1.55777690e+01 8 -9.45644707e+00 -3.15927038e+01 1.81385699e+00 9 -2.57354783e+01 4.33158399e-01 -3.25566197e+01 10 -1.94597289e+01 3.54788371e+01 -4.12308492e+01 11 -3.94874560e+01 -9.31169081e+00 -1.03510812e+01 12 -3.59067815e+01 2.28179725e+01 -3.49334064e+00 13 1.63050283e+01 -1.46886070e+01 -7.55729479e+01 14 2.73022142e+01 1.91915225e+01 -2.20606990e+01 15 7.48167647e+01 4.77246938e+00 -1.32883563e+01 16 7.30436033e+00 7.55245700e+01 -1.19130918e+00 17 -3.22800569e+01 -2.22206179e+01 -3.09553633e+00 18 -1.05357352e+00 -5.00754906e+00 8.00997217e+00 19 6.49500680e+00 -3.13415728e+01 3.27707086e+01 20 -2.95737022e+01 8.02116159e+00 2.56494889e+01 21 5.75857045e+00 -3.95295365e+01 1.73421567e+01 22 5.25000239e+01 -9.63630998e+00 6.32273695e+00 23 1.06585923e+01 -1.00895598e+01 1.75132745e+01 24 3.66667891e+00 -1.41058064e+01 4.82015691e+01 25 -4.73657592e+01 3.60118527e+00 2.56853002e+00 26 -9.03654651e+00 5.34508421e+01 6.80899401e+00 27 -1.03641565e+01 -1.42776150e+01 4.58579085e+01 28 -3.80978271e+01 2.34470137e+01 1.57613143e+01 29 1.87578599e+01 1.31923291e+01 2.89304549e+01 30 3.86358055e+01 3.41768399e+01 1.01230354e+01 31 3.28889716e+01 1.64396325e+00 4.09067283e+01 32 1.54412126e+01 2.93616773e+01 3.32897255e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==1189558== Memcheck, a memory error detector ==1189558== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==1189558== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==1189558== Command: python runner2.py SW_ZhangXieHu_2014OptimizedSW2_Si__MO_475612090600_005 ==1189558== ==1190008== Warning: invalid file descriptor 1024 in syscall close() ==1190008== Warning: invalid file descriptor 1025 in syscall close() ==1190008== Warning: invalid file descriptor 1026 in syscall close() ==1190008== Warning: invalid file descriptor 1027 in syscall close() ==1190008== Use --log-fd= to select an alternative log fd. ==1190008== Warning: invalid file descriptor 1028 in syscall close() ==1190008== Warning: invalid file descriptor 1029 in syscall close() ==1189558== ==1189558== HEAP SUMMARY: ==1189558== in use at exit: 2,257,559 bytes in 1,700 blocks ==1189558== total heap usage: 46,089 allocs, 44,389 frees, 58,235,482 bytes allocated ==1189558== ==1189558== LEAK SUMMARY: ==1189558== definitely lost: 0 bytes in 0 blocks ==1189558== indirectly lost: 0 bytes in 0 blocks ==1189558== possibly lost: 180,827 bytes in 103 blocks ==1189558== still reachable: 2,076,700 bytes in 1,596 blocks ==1189558== of which reachable via heuristic: ==1189558== stdstring : 38 bytes in 1 blocks ==1189558== suppressed: 32 bytes in 1 blocks ==1189558== Rerun with --leak-check=full to see details of leaked memory ==1189558== ==1189558== For lists of detected and suppressed errors, rerun with: -s ==1189558== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 7772 from 542) ================================================================================ 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 10:17:09) ===