!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_MendelevUnderwoodAckland_2016pset2_Ti__MO_938747375043_000 Supported species : Ti random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Ti (Configuration in file "config-F-Ti.xyz") ----------------------------------------------------------------------------------------------------- Energy = 21827.711025574852 Forces: 1 -8.11839342e+02 -8.26386651e+02 -7.41984138e+02 2 -1.90901743e+03 -3.13519316e+03 -5.56979660e+03 3 -1.82032477e+03 -4.44703669e+03 -1.24794495e+03 4 -4.14545797e+03 -1.70642695e+03 -1.41835130e+03 5 -2.05753239e+02 -3.33580486e+03 -2.56021244e+03 6 2.49309084e+03 -1.85545011e+03 -3.18448013e+03 7 3.66621569e+03 -5.46529466e+03 -1.64951160e+02 8 4.92212399e+03 -1.11023463e+04 -5.72114530e+03 9 -3.22203442e+03 3.96017389e+02 -3.43548240e+03 10 -2.11270659e+03 4.26978884e+03 -4.38292532e+03 11 -1.13292711e+04 1.22395905e+03 -5.61296310e+03 12 -3.17570956e+03 2.43251864e+03 -9.50965045e+02 13 2.98064986e+03 2.52936186e+03 -1.21712372e+04 14 2.44915464e+03 2.43204003e+03 -2.29156236e+03 15 1.31002858e+04 3.23159824e+03 -3.77776587e+03 16 1.04782113e+03 1.38794580e+04 -2.99408097e+03 17 -1.97384250e+03 -1.66121789e+03 2.73502338e+02 18 -5.56858480e+03 -5.77495614e+03 5.19474720e+03 19 -5.58879410e+02 -1.86609759e+03 1.77715427e+03 20 -1.93836675e+03 -4.18644924e+02 1.67816192e+03 21 1.04709416e+03 -5.15910578e+03 2.45573304e+03 22 6.35802984e+03 -3.20724698e+03 2.73404324e+03 23 8.73144358e+02 -8.47370203e+02 1.30528175e+03 24 4.94011422e+02 -1.92242745e+03 4.82795350e+03 25 -6.63338094e+03 2.03233111e+03 2.65034341e+03 26 -3.94985548e+03 7.42403708e+03 4.06040252e+03 27 -2.42503447e+03 8.92288302e+02 4.78676086e+03 28 -7.66033422e+02 4.94019084e+02 7.43045346e+02 29 4.09384710e+03 4.24451658e+03 1.20469667e+04 30 4.61934136e+03 4.11620250e+03 1.91653214e+03 31 4.03879584e+03 3.55673063e+02 5.28328982e+03 32 3.62486199e+02 2.77719658e+03 4.49193017e+03 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ti (Configuration in file "config-T-Ti.xyz") ----------------------------------------------------------------------------------------------------- Energy = 21827.711025574852 Forces: 1 -8.11839342e+02 -8.26386651e+02 -7.41984138e+02 2 -1.90901743e+03 -3.13519316e+03 -5.56979660e+03 3 -1.82032477e+03 -4.44703669e+03 -1.24794495e+03 4 -4.14545797e+03 -1.70642695e+03 -1.41835130e+03 5 -2.05753239e+02 -3.33580486e+03 -2.56021244e+03 6 2.49309084e+03 -1.85545011e+03 -3.18448013e+03 7 3.66621569e+03 -5.46529466e+03 -1.64951160e+02 8 4.92212399e+03 -1.11023463e+04 -5.72114530e+03 9 -3.22203442e+03 3.96017389e+02 -3.43548240e+03 10 -2.11270659e+03 4.26978884e+03 -4.38292532e+03 11 -1.13292711e+04 1.22395905e+03 -5.61296310e+03 12 -3.17570956e+03 2.43251864e+03 -9.50965045e+02 13 2.98064986e+03 2.52936186e+03 -1.21712372e+04 14 2.44915464e+03 2.43204003e+03 -2.29156236e+03 15 1.31002858e+04 3.23159824e+03 -3.77776587e+03 16 1.04782113e+03 1.38794580e+04 -2.99408097e+03 17 -1.97384250e+03 -1.66121789e+03 2.73502338e+02 18 -5.56858480e+03 -5.77495614e+03 5.19474720e+03 19 -5.58879410e+02 -1.86609759e+03 1.77715427e+03 20 -1.93836675e+03 -4.18644924e+02 1.67816192e+03 21 1.04709416e+03 -5.15910578e+03 2.45573304e+03 22 6.35802984e+03 -3.20724698e+03 2.73404324e+03 23 8.73144358e+02 -8.47370203e+02 1.30528175e+03 24 4.94011422e+02 -1.92242745e+03 4.82795350e+03 25 -6.63338094e+03 2.03233111e+03 2.65034341e+03 26 -3.94985548e+03 7.42403708e+03 4.06040252e+03 27 -2.42503447e+03 8.92288302e+02 4.78676086e+03 28 -7.66033422e+02 4.94019084e+02 7.43045346e+02 29 4.09384710e+03 4.24451658e+03 1.20469667e+04 30 4.61934136e+03 4.11620250e+03 1.91653214e+03 31 4.03879584e+03 3.55673063e+02 5.28328982e+03 32 3.62486199e+02 2.77719658e+03 4.49193017e+03 ================================================================================ VALGRIND OUTPUT ================================================================================ ==18835== Memcheck, a memory error detector ==18835== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==18835== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==18835== Command: python runner2.py EAM_Dynamo_MendelevUnderwoodAckland_2016pset2_Ti__MO_938747375043_000 ==18835== ==19611== Warning: invalid file descriptor 4096 in syscall close() ==19611== Warning: invalid file descriptor 4097 in syscall close() ==19611== Warning: invalid file descriptor 4098 in syscall close() ==19611== Warning: invalid file descriptor 4099 in syscall close() ==19611== Use --log-fd= to select an alternative log fd. ==19611== Warning: invalid file descriptor 4100 in syscall close() ==19611== Warning: invalid file descriptor 4101 in syscall close() ==18835== ==18835== HEAP SUMMARY: ==18835== in use at exit: 2,202,999 bytes in 1,640 blocks ==18835== total heap usage: 45,911 allocs, 44,271 frees, 69,547,957 bytes allocated ==18835== ==18835== LEAK SUMMARY: ==18835== definitely lost: 0 bytes in 0 blocks ==18835== indirectly lost: 0 bytes in 0 blocks ==18835== possibly lost: 198,622 bytes in 101 blocks ==18835== still reachable: 2,004,345 bytes in 1,538 blocks ==18835== suppressed: 32 bytes in 1 blocks ==18835== Rerun with --leak-check=full to see details of leaked memory ==18835== ==18835== For lists of detected and suppressed errors, rerun with: -s ==18835== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 8916 from 546) ================================================================================ 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.