!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_SturgeonLaird_2000_Al__MO_120808805541_005 Supported species : Al random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Al (Configuration in file "config-F-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 89.96779146020744 Forces: 1 -5.49380126e+00 -1.14118655e+01 -1.20297443e+01 2 -7.48033403e+00 9.85651341e+00 -9.64411183e+00 3 5.84419875e+00 -1.25497132e+01 -5.62731745e+00 4 -7.93802359e+00 7.25504620e+00 5.47469957e+00 5 4.05860278e+00 -1.84031605e+01 -5.66121173e+00 6 8.89979074e+00 2.95133880e+00 -1.00176074e+01 7 8.13996078e+00 -3.17652877e+01 -2.83775854e+01 8 -1.45103693e+01 -1.15979331e+01 6.81285688e+00 9 -9.39617141e+00 -9.63783045e+00 -1.80518036e+01 10 -4.77645155e+00 1.89355632e+01 -2.10604197e+01 11 8.38709986e-01 -1.51200976e+01 4.99959619e-01 12 -1.27229077e+01 2.07943764e+01 5.66400699e-01 13 -1.14188313e+01 -1.04502117e+01 -4.61952671e+01 14 9.56003314e+00 1.22133262e+01 -8.36365255e+00 15 3.90654650e+01 -8.49455008e+00 1.25932972e+01 16 5.58047920e+00 3.12741443e+01 1.56360599e+01 17 -1.82351623e+01 -9.60169261e+00 -5.57195924e+00 18 5.65574907e+00 1.36811430e+01 -7.66111853e-01 19 9.28083656e+00 -1.38404987e+01 1.16800793e+01 20 -8.22416699e+00 1.03482736e+01 9.72512070e+00 21 -1.54598583e+01 -9.73813816e+00 8.66176572e+00 22 2.03971635e+01 2.80840572e+01 2.40538564e+01 23 4.98674168e+00 -1.92902036e+00 8.40144537e+00 24 6.66538065e+00 -6.17601963e+00 6.95697395e+00 25 -1.49804400e+01 -9.25256380e+00 1.74732510e+01 26 -6.96523672e+00 2.08550848e+01 -1.10976767e+01 27 9.52955581e+00 -3.26054320e+01 1.04722015e+01 28 -3.22609221e+01 2.68256028e+01 5.22053576e+00 29 -8.05566106e+00 -1.51819550e+01 3.13090413e+00 30 1.04079757e+01 1.68790169e+01 4.13898294e+00 31 1.90034308e+01 -1.01145354e+01 1.34088698e+01 32 1.00042633e+01 1.79170187e+01 1.75572083e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Al (Configuration in file "config-T-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 89.96779146020744 Forces: 1 -5.49380126e+00 -1.14118655e+01 -1.20297443e+01 2 -7.48033403e+00 9.85651341e+00 -9.64411183e+00 3 5.84419875e+00 -1.25497132e+01 -5.62731745e+00 4 -7.93802359e+00 7.25504620e+00 5.47469957e+00 5 4.05860278e+00 -1.84031605e+01 -5.66121173e+00 6 8.89979074e+00 2.95133880e+00 -1.00176074e+01 7 8.13996078e+00 -3.17652877e+01 -2.83775854e+01 8 -1.45103693e+01 -1.15979331e+01 6.81285688e+00 9 -9.39617141e+00 -9.63783045e+00 -1.80518036e+01 10 -4.77645155e+00 1.89355632e+01 -2.10604197e+01 11 8.38709986e-01 -1.51200976e+01 4.99959619e-01 12 -1.27229077e+01 2.07943764e+01 5.66400699e-01 13 -1.14188313e+01 -1.04502117e+01 -4.61952671e+01 14 9.56003314e+00 1.22133262e+01 -8.36365255e+00 15 3.90654650e+01 -8.49455008e+00 1.25932972e+01 16 5.58047920e+00 3.12741443e+01 1.56360599e+01 17 -1.82351623e+01 -9.60169261e+00 -5.57195924e+00 18 5.65574907e+00 1.36811430e+01 -7.66111853e-01 19 9.28083656e+00 -1.38404987e+01 1.16800793e+01 20 -8.22416699e+00 1.03482736e+01 9.72512070e+00 21 -1.54598583e+01 -9.73813816e+00 8.66176572e+00 22 2.03971635e+01 2.80840572e+01 2.40538564e+01 23 4.98674168e+00 -1.92902036e+00 8.40144537e+00 24 6.66538065e+00 -6.17601963e+00 6.95697395e+00 25 -1.49804400e+01 -9.25256380e+00 1.74732510e+01 26 -6.96523672e+00 2.08550848e+01 -1.10976767e+01 27 9.52955581e+00 -3.26054320e+01 1.04722015e+01 28 -3.22609221e+01 2.68256028e+01 5.22053576e+00 29 -8.05566106e+00 -1.51819550e+01 3.13090413e+00 30 1.04079757e+01 1.68790169e+01 4.13898294e+00 31 1.90034308e+01 -1.01145354e+01 1.34088698e+01 32 1.00042633e+01 1.79170187e+01 1.75572083e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==1304777== Memcheck, a memory error detector ==1304777== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==1304777== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==1304777== Command: python runner2.py EAM_Dynamo_SturgeonLaird_2000_Al__MO_120808805541_005 ==1304777== ==1306178== Warning: invalid file descriptor 1024 in syscall close() ==1306178== Warning: invalid file descriptor 1025 in syscall close() ==1306178== Warning: invalid file descriptor 1026 in syscall close() ==1306178== Warning: invalid file descriptor 1027 in syscall close() ==1306178== Use --log-fd= to select an alternative log fd. ==1306178== Warning: invalid file descriptor 1028 in syscall close() ==1306178== Warning: invalid file descriptor 1029 in syscall close() ==1304777== ==1304777== HEAP SUMMARY: ==1304777== in use at exit: 2,257,559 bytes in 1,700 blocks ==1304777== total heap usage: 45,235 allocs, 43,535 frees, 71,502,654 bytes allocated ==1304777== ==1304777== LEAK SUMMARY: ==1304777== definitely lost: 0 bytes in 0 blocks ==1304777== indirectly lost: 0 bytes in 0 blocks ==1304777== possibly lost: 180,827 bytes in 103 blocks ==1304777== still reachable: 2,076,700 bytes in 1,596 blocks ==1304777== of which reachable via heuristic: ==1304777== stdstring : 38 bytes in 1 blocks ==1304777== suppressed: 32 bytes in 1 blocks ==1304777== Rerun with --leak-check=full to see details of leaked memory ==1304777== ==1304777== For lists of detected and suppressed errors, rerun with: -s ==1304777== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 7734 from 539) ================================================================================ 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.