!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_MendelevKramerBecker_2008_Cu__MO_945691923444_005 Supported species : Cu random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Cu (Configuration in file "config-F-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 14.970895025290236 Forces: 1 -1.50365592e+01 -3.28249892e+01 -4.98012788e+01 2 -1.01072693e+01 1.18333987e+01 -5.79918595e+00 3 2.68449671e+01 -2.45359376e+01 1.58707244e+01 4 -1.62833756e+01 5.37497401e+01 3.25490184e+01 5 9.01637971e+00 -1.42964097e+01 -1.83378502e+00 6 2.37795726e+00 3.75168424e-01 -2.82605924e+00 7 4.40397607e+00 -3.88874863e+01 -4.74969519e+01 8 -2.98557760e+01 -2.62087943e+01 1.02699711e+00 9 -7.20142522e+00 -2.09189575e+01 -2.78376807e+01 10 -3.01899888e+00 1.47114689e+01 -1.75567223e+01 11 -2.30345553e+01 -1.61215472e+01 5.62855305e+00 12 -5.50473395e+00 1.91901256e+01 2.02314755e+01 13 -1.97794968e+01 -8.91142928e+00 -6.26072021e+01 14 9.68301429e+00 8.98440781e+00 -3.11700007e+00 15 7.03548956e+01 1.55481179e+01 1.69720475e+01 16 1.59654158e+01 4.69670337e+01 1.14758936e+01 17 -7.45326611e+00 -2.70885065e+01 -2.84891144e+01 18 4.70803376e+00 2.68328401e+00 4.64587378e-01 19 2.93561937e+00 -3.45860916e+00 3.37949420e+00 20 -1.62104801e+00 2.49897764e+01 2.93868586e+01 21 -2.26632354e+01 -1.04768551e+01 9.16651525e+00 22 2.23143898e+01 3.26088113e+01 2.59917334e+01 23 9.24277030e+00 -8.39041752e-01 1.71858043e+01 24 -8.57181634e-01 1.55555456e+00 2.19728319e+00 25 -3.28302119e+00 -4.75298525e+00 3.57374873e+00 26 -2.47136223e+01 1.73887108e+01 -1.08232675e+01 27 2.90849529e+01 -4.28987851e+01 1.25452825e+01 28 -3.99685167e+01 3.71390743e+01 -6.80583344e+00 29 -3.24171490e+00 -2.44220500e+01 3.09675727e+01 30 3.05913115e+00 4.23774068e+00 2.07739723e+00 31 2.07644874e+00 1.35922668e-01 1.81549387e+00 32 2.15558447e+01 4.54404801e+00 2.24876006e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Cu (Configuration in file "config-T-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 14.970895025290236 Forces: 1 -1.50365592e+01 -3.28249892e+01 -4.98012788e+01 2 -1.01072693e+01 1.18333987e+01 -5.79918595e+00 3 2.68449671e+01 -2.45359376e+01 1.58707244e+01 4 -1.62833756e+01 5.37497401e+01 3.25490184e+01 5 9.01637971e+00 -1.42964097e+01 -1.83378502e+00 6 2.37795726e+00 3.75168424e-01 -2.82605924e+00 7 4.40397607e+00 -3.88874863e+01 -4.74969519e+01 8 -2.98557760e+01 -2.62087943e+01 1.02699711e+00 9 -7.20142522e+00 -2.09189575e+01 -2.78376807e+01 10 -3.01899888e+00 1.47114689e+01 -1.75567223e+01 11 -2.30345553e+01 -1.61215472e+01 5.62855305e+00 12 -5.50473395e+00 1.91901256e+01 2.02314755e+01 13 -1.97794968e+01 -8.91142928e+00 -6.26072021e+01 14 9.68301429e+00 8.98440781e+00 -3.11700007e+00 15 7.03548956e+01 1.55481179e+01 1.69720475e+01 16 1.59654158e+01 4.69670337e+01 1.14758936e+01 17 -7.45326611e+00 -2.70885065e+01 -2.84891144e+01 18 4.70803376e+00 2.68328401e+00 4.64587378e-01 19 2.93561937e+00 -3.45860916e+00 3.37949420e+00 20 -1.62104801e+00 2.49897764e+01 2.93868586e+01 21 -2.26632354e+01 -1.04768551e+01 9.16651525e+00 22 2.23143898e+01 3.26088113e+01 2.59917334e+01 23 9.24277030e+00 -8.39041752e-01 1.71858043e+01 24 -8.57181634e-01 1.55555456e+00 2.19728319e+00 25 -3.28302119e+00 -4.75298525e+00 3.57374873e+00 26 -2.47136223e+01 1.73887108e+01 -1.08232675e+01 27 2.90849529e+01 -4.28987851e+01 1.25452825e+01 28 -3.99685167e+01 3.71390743e+01 -6.80583344e+00 29 -3.24171490e+00 -2.44220500e+01 3.09675727e+01 30 3.05913115e+00 4.23774068e+00 2.07739723e+00 31 2.07644874e+00 1.35922668e-01 1.81549387e+00 32 2.15558447e+01 4.54404801e+00 2.24876006e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==1443601== Memcheck, a memory error detector ==1443601== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==1443601== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==1443601== Command: python runner2.py EAM_Dynamo_MendelevKramerBecker_2008_Cu__MO_945691923444_005 ==1443601== ==1445161== Warning: invalid file descriptor 1024 in syscall close() ==1445161== Warning: invalid file descriptor 1025 in syscall close() ==1445161== Warning: invalid file descriptor 1026 in syscall close() ==1445161== Warning: invalid file descriptor 1027 in syscall close() ==1445161== Use --log-fd= to select an alternative log fd. ==1445161== Warning: invalid file descriptor 1028 in syscall close() ==1445161== Warning: invalid file descriptor 1029 in syscall close() ==1443601== ==1443601== HEAP SUMMARY: ==1443601== in use at exit: 2,257,559 bytes in 1,700 blocks ==1443601== total heap usage: 45,235 allocs, 43,535 frees, 71,506,771 bytes allocated ==1443601== ==1443601== LEAK SUMMARY: ==1443601== definitely lost: 0 bytes in 0 blocks ==1443601== indirectly lost: 0 bytes in 0 blocks ==1443601== possibly lost: 180,827 bytes in 103 blocks ==1443601== still reachable: 2,076,700 bytes in 1,596 blocks ==1443601== of which reachable via heuristic: ==1443601== stdstring : 38 bytes in 1 blocks ==1443601== suppressed: 32 bytes in 1 blocks ==1443601== Rerun with --leak-check=full to see details of leaked memory ==1443601== ==1443601== For lists of detected and suppressed errors, rerun with: -s ==1443601== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 7865 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.