Enter a model name: === Verification check vc-memory-leak start (2022-11-30 10:16:28) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : EAM_Dynamo_FoilesHoyt_2006_Ni__MO_776437554506_000 Supported species : Ni random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Ni (Configuration in file "config-F-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = -37.90999182869189 Forces: 1 -1.66222070e+00 -4.06483757e+00 -4.36321297e+00 2 -4.12252362e+00 8.48098141e+00 -4.62137279e+00 3 1.42993689e+00 -7.74006381e+00 -1.56892206e+00 4 -3.99787488e+00 3.18154190e+00 1.94215859e+00 5 6.94370195e+00 -9.54428436e+00 -1.63278752e+00 6 8.81415781e-01 1.61947988e+00 -2.42630231e+00 7 4.70107839e+00 -1.40873833e+01 -1.31649801e+01 8 -7.94522316e+00 -6.63288081e+00 -2.81323734e+00 9 -5.10937015e+00 -5.16397432e+00 -9.00466186e+00 10 -2.24045626e+00 1.05910957e+01 -1.08557284e+01 11 -2.28511172e+00 -8.52431249e+00 2.26602077e+00 12 -5.80797385e+00 8.71152628e+00 1.54259123e+00 13 -2.40313578e+00 -7.97985506e+00 -2.11786778e+01 14 3.61064897e+00 4.96300610e+00 -2.81800715e+00 15 2.01427743e+01 -2.91413945e+00 3.67153331e+00 16 3.41368059e+00 1.74300573e+01 6.91794822e+00 17 -8.38739924e+00 -3.90092080e+00 -2.56251961e+00 18 1.85081713e+00 7.11648236e+00 3.96496608e+00 19 2.45623686e+00 -7.34169819e+00 3.70174449e+00 20 -2.18995122e+00 5.25436966e+00 3.09457565e+00 21 -8.45065099e+00 -7.37696717e+00 2.30918169e+00 22 1.14801360e+01 1.17084728e+01 7.81875782e+00 23 4.99447272e+00 -1.10894454e+00 6.85659448e+00 24 -3.69384540e-01 5.50791102e+00 2.87930703e+00 25 -7.33136583e+00 -4.97633186e+00 5.48009987e+00 26 -3.72887537e+00 1.17541644e+01 -5.68592686e+00 27 3.46141632e+00 -1.65719974e+01 6.38930511e+00 28 -1.17347344e+01 9.57849828e+00 2.51079411e+00 29 -4.91838533e+00 -7.05895459e+00 5.61149263e+00 30 4.56686640e+00 8.20379852e+00 -1.21592175e+00 31 7.99571108e+00 -7.42295877e+00 7.89341888e+00 32 4.75574375e+00 8.30911904e+00 9.06176869e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ni (Configuration in file "config-T-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = -37.90999182869189 Forces: 1 -1.66222070e+00 -4.06483757e+00 -4.36321297e+00 2 -4.12252362e+00 8.48098141e+00 -4.62137279e+00 3 1.42993689e+00 -7.74006381e+00 -1.56892206e+00 4 -3.99787488e+00 3.18154190e+00 1.94215859e+00 5 6.94370195e+00 -9.54428436e+00 -1.63278752e+00 6 8.81415781e-01 1.61947988e+00 -2.42630231e+00 7 4.70107839e+00 -1.40873833e+01 -1.31649801e+01 8 -7.94522316e+00 -6.63288081e+00 -2.81323734e+00 9 -5.10937015e+00 -5.16397432e+00 -9.00466186e+00 10 -2.24045626e+00 1.05910957e+01 -1.08557284e+01 11 -2.28511172e+00 -8.52431249e+00 2.26602077e+00 12 -5.80797385e+00 8.71152628e+00 1.54259123e+00 13 -2.40313578e+00 -7.97985506e+00 -2.11786778e+01 14 3.61064897e+00 4.96300610e+00 -2.81800715e+00 15 2.01427743e+01 -2.91413945e+00 3.67153331e+00 16 3.41368059e+00 1.74300573e+01 6.91794822e+00 17 -8.38739924e+00 -3.90092080e+00 -2.56251961e+00 18 1.85081713e+00 7.11648236e+00 3.96496608e+00 19 2.45623686e+00 -7.34169819e+00 3.70174449e+00 20 -2.18995122e+00 5.25436966e+00 3.09457565e+00 21 -8.45065099e+00 -7.37696717e+00 2.30918169e+00 22 1.14801360e+01 1.17084728e+01 7.81875782e+00 23 4.99447272e+00 -1.10894454e+00 6.85659448e+00 24 -3.69384540e-01 5.50791102e+00 2.87930703e+00 25 -7.33136583e+00 -4.97633186e+00 5.48009987e+00 26 -3.72887537e+00 1.17541644e+01 -5.68592686e+00 27 3.46141632e+00 -1.65719974e+01 6.38930511e+00 28 -1.17347344e+01 9.57849828e+00 2.51079411e+00 29 -4.91838533e+00 -7.05895459e+00 5.61149263e+00 30 4.56686640e+00 8.20379852e+00 -1.21592175e+00 31 7.99571108e+00 -7.42295877e+00 7.89341888e+00 32 4.75574375e+00 8.30911904e+00 9.06176869e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==4157846== Memcheck, a memory error detector ==4157846== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==4157846== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==4157846== Command: python runner2.py EAM_Dynamo_FoilesHoyt_2006_Ni__MO_776437554506_000 ==4157846== ==4160673== Warning: invalid file descriptor 1024 in syscall close() ==4160673== Warning: invalid file descriptor 1025 in syscall close() ==4160673== Warning: invalid file descriptor 1026 in syscall close() ==4160673== Warning: invalid file descriptor 1027 in syscall close() ==4160673== Use --log-fd= to select an alternative log fd. ==4160673== Warning: invalid file descriptor 1028 in syscall close() ==4160673== Warning: invalid file descriptor 1029 in syscall close() ==4157846== ==4157846== HEAP SUMMARY: ==4157846== in use at exit: 2,257,559 bytes in 1,700 blocks ==4157846== total heap usage: 45,235 allocs, 43,535 frees, 59,416,651 bytes allocated ==4157846== ==4157846== LEAK SUMMARY: ==4157846== definitely lost: 0 bytes in 0 blocks ==4157846== indirectly lost: 0 bytes in 0 blocks ==4157846== possibly lost: 180,827 bytes in 103 blocks ==4157846== still reachable: 2,076,700 bytes in 1,596 blocks ==4157846== of which reachable via heuristic: ==4157846== stdstring : 38 bytes in 1 blocks ==4157846== suppressed: 32 bytes in 1 blocks ==4157846== Rerun with --leak-check=full to see details of leaked memory ==4157846== ==4157846== For lists of detected and suppressed errors, rerun with: -s ==4157846== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 7740 from 541) ================================================================================ 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 10:16:57) ===