!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 ----------------------------------------------------------------------------------------------------- Results for KIM Model : EAM_Dynamo_ZhouJohnsonWadley_2004_W__MO_524392058194_005 Supported species : W random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = W (Configuration in file "config-F-W.xyz") ----------------------------------------------------------------------------------------------------- Energy = 329.35709050879683 Forces: 1 -1.54327749e+01 -3.19213571e+01 -3.32205286e+01 2 -3.38644793e+01 5.54109027e+01 -3.94584491e+01 3 5.40768767e+00 -2.14072219e+01 9.99481973e+00 4 -1.98438535e+01 2.33611536e+01 2.01559372e+01 5 4.93281642e+01 -7.29343325e+01 -1.22367527e+01 6 1.56373862e+01 5.63050934e+00 -2.57785755e+01 7 2.21349203e+01 -1.05733491e+02 -9.88182246e+01 8 -5.63937446e+01 -4.04742813e+01 2.21280283e+00 9 -4.39834473e+01 -2.52570251e+01 -6.60992915e+01 10 -1.72922589e+01 7.34712598e+01 -7.39464093e+01 11 -2.51581087e+01 -5.88032294e+01 5.01942861e+01 12 -3.55794591e+01 4.44013527e+01 1.94132387e+01 13 -2.03696369e+01 -4.42074579e+01 -1.53321193e+02 14 2.93872427e+01 3.63420181e+01 -2.68628845e+01 15 1.31060935e+02 -3.55138889e+01 2.39446983e+01 16 1.23403860e+01 1.07301157e+02 5.05579332e+01 17 -6.58103115e+01 -4.58738421e+01 -2.31691804e+01 18 5.15370235e+01 6.67128558e+01 -6.32627906e+01 19 2.35848315e+01 -7.67191019e+01 4.82357449e+01 20 -5.44347746e+01 2.62544396e+01 6.10333046e+01 21 -4.67045999e+01 -3.55784995e+01 2.36095116e+01 22 7.18299150e+01 8.24469856e+01 8.00465096e+01 23 1.67218947e+01 -7.44492346e+00 2.39805030e+01 24 1.91015267e+01 1.79065523e+01 2.52730297e+01 25 -4.24420640e+01 -2.51468859e+01 -1.46771414e+01 26 -1.93269760e+01 7.04601026e+01 -3.64010175e+01 27 5.11842358e+01 -1.14626363e+02 5.28221651e+01 28 -9.99002098e+01 8.95164584e+01 2.53166963e+01 29 -2.99199335e+01 -4.29332935e+01 2.65191975e+01 30 3.81281318e+01 5.87939977e+01 3.07518989e+01 31 5.64648713e+01 -2.64342464e+01 3.75942860e+01 32 3.26074797e+01 5.29996962e+01 5.55958752e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = W (Configuration in file "config-T-W.xyz") ----------------------------------------------------------------------------------------------------- Energy = 329.35709050879683 Forces: 1 -1.54327749e+01 -3.19213571e+01 -3.32205286e+01 2 -3.38644793e+01 5.54109027e+01 -3.94584491e+01 3 5.40768767e+00 -2.14072219e+01 9.99481973e+00 4 -1.98438535e+01 2.33611536e+01 2.01559372e+01 5 4.93281642e+01 -7.29343325e+01 -1.22367527e+01 6 1.56373862e+01 5.63050934e+00 -2.57785755e+01 7 2.21349203e+01 -1.05733491e+02 -9.88182246e+01 8 -5.63937446e+01 -4.04742813e+01 2.21280283e+00 9 -4.39834473e+01 -2.52570251e+01 -6.60992915e+01 10 -1.72922589e+01 7.34712598e+01 -7.39464093e+01 11 -2.51581087e+01 -5.88032294e+01 5.01942861e+01 12 -3.55794591e+01 4.44013527e+01 1.94132387e+01 13 -2.03696369e+01 -4.42074579e+01 -1.53321193e+02 14 2.93872427e+01 3.63420181e+01 -2.68628845e+01 15 1.31060935e+02 -3.55138889e+01 2.39446983e+01 16 1.23403860e+01 1.07301157e+02 5.05579332e+01 17 -6.58103115e+01 -4.58738421e+01 -2.31691804e+01 18 5.15370235e+01 6.67128558e+01 -6.32627906e+01 19 2.35848315e+01 -7.67191019e+01 4.82357449e+01 20 -5.44347746e+01 2.62544396e+01 6.10333046e+01 21 -4.67045999e+01 -3.55784995e+01 2.36095116e+01 22 7.18299150e+01 8.24469856e+01 8.00465096e+01 23 1.67218947e+01 -7.44492346e+00 2.39805030e+01 24 1.91015267e+01 1.79065523e+01 2.52730297e+01 25 -4.24420640e+01 -2.51468859e+01 -1.46771414e+01 26 -1.93269760e+01 7.04601026e+01 -3.64010175e+01 27 5.11842358e+01 -1.14626363e+02 5.28221651e+01 28 -9.99002098e+01 8.95164584e+01 2.53166963e+01 29 -2.99199335e+01 -4.29332935e+01 2.65191975e+01 30 3.81281318e+01 5.87939977e+01 3.07518989e+01 31 5.64648713e+01 -2.64342464e+01 3.75942860e+01 32 3.26074797e+01 5.29996962e+01 5.55958752e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==85023== Memcheck, a memory error detector ==85023== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==85023== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==85023== Command: python runner2.py EAM_Dynamo_ZhouJohnsonWadley_2004_W__MO_524392058194_005 ==85023== ==86770== Warning: invalid file descriptor 1048564 in syscall close() ==86770== Warning: invalid file descriptor 1048565 in syscall close() ==86770== Warning: invalid file descriptor 1048566 in syscall close() ==86770== Warning: invalid file descriptor 1048567 in syscall close() ==86770== Use --log-fd= to select an alternative log fd. ==86770== Warning: invalid file descriptor 1048568 in syscall close() ==86770== Warning: invalid file descriptor 1048569 in syscall close() ==86771== Warning: invalid file descriptor 1048564 in syscall close() ==86771== Warning: invalid file descriptor 1048565 in syscall close() ==86771== Warning: invalid file descriptor 1048566 in syscall close() ==86771== Warning: invalid file descriptor 1048567 in syscall close() ==86771== Use --log-fd= to select an alternative log fd. ==86771== Warning: invalid file descriptor 1048568 in syscall close() ==86771== Warning: invalid file descriptor 1048569 in syscall close() ==86774== Warning: invalid file descriptor 1048564 in syscall close() ==86774== Warning: invalid file descriptor 1048565 in syscall close() ==86774== Warning: invalid file descriptor 1048566 in syscall close() ==86774== Warning: invalid file descriptor 1048567 in syscall close() ==86774== Use --log-fd= to select an alternative log fd. ==86774== Warning: invalid file descriptor 1048568 in syscall close() ==86774== Warning: invalid file descriptor 1048569 in syscall close() ==86775== Warning: invalid file descriptor 1048564 in syscall close() ==86775== Warning: invalid file descriptor 1048565 in syscall close() ==86775== Warning: invalid file descriptor 1048566 in syscall close() ==86775== Warning: invalid file descriptor 1048567 in syscall close() ==86775== Use --log-fd= to select an alternative log fd. ==86775== Warning: invalid file descriptor 1048568 in syscall close() ==86775== Warning: invalid file descriptor 1048569 in syscall close() ==86776== Warning: invalid file descriptor 1048564 in syscall close() ==86776== Warning: invalid file descriptor 1048565 in syscall close() ==86776== Warning: invalid file descriptor 1048566 in syscall close() ==86776== Warning: invalid file descriptor 1048567 in syscall close() ==86776== Use --log-fd= to select an alternative log fd. ==86776== Warning: invalid file descriptor 1048568 in syscall close() ==86776== Warning: invalid file descriptor 1048569 in syscall close() ==86777== Warning: invalid file descriptor 1048564 in syscall close() ==86777== Warning: invalid file descriptor 1048565 in syscall close() ==86777== Warning: invalid file descriptor 1048566 in syscall close() ==86777== Warning: invalid file descriptor 1048567 in syscall close() ==86777== Use --log-fd= to select an alternative log fd. ==86777== Warning: invalid file descriptor 1048568 in syscall close() ==86777== Warning: invalid file descriptor 1048569 in syscall close() ==85023== ==85023== HEAP SUMMARY: ==85023== in use at exit: 1,718,292 bytes in 1,321 blocks ==85023== total heap usage: 31,120 allocs, 29,799 frees, 40,376,571 bytes allocated ==85023== ==85023== LEAK SUMMARY: ==85023== definitely lost: 0 bytes in 0 blocks ==85023== indirectly lost: 0 bytes in 0 blocks ==85023== possibly lost: 178,943 bytes in 97 blocks ==85023== still reachable: 1,539,349 bytes in 1,224 blocks ==85023== suppressed: 0 bytes in 0 blocks ==85023== Rerun with --leak-check=full to see details of leaked memory ==85023== ==85023== For counts of detected and suppressed errors, rerun with: -v ==85023== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 16334 from 599) ================================================================================ 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.