!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_MarinicaVentelonGilbert_2013EAM2_W__MO_204305659515_000 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 = 180.287784382647 Forces: 1 -2.24942674e+01 -2.30501095e+01 -3.47771244e+01 2 -2.08234020e+01 3.63975416e+01 -2.29349664e+01 3 8.31921938e+00 -2.34522651e+01 2.27864621e+01 4 -1.62315245e+01 2.05779112e+01 1.51065848e+01 5 1.88034212e+01 -4.62898801e+01 -1.41243280e+01 6 2.42881943e+01 1.26130814e+01 -2.64485247e+01 7 1.05845524e+01 -8.91382122e+01 -7.65163090e+01 8 -3.68245864e+01 -3.38338135e+01 1.29225399e+01 9 -8.09445830e+00 -4.43030112e+01 -4.67828735e+01 10 -8.95308743e+00 3.53562926e+01 -4.78310076e+01 11 -9.59921169e-02 -3.10256979e+01 -4.18271075e+01 12 -3.31951255e+01 4.51736823e+01 3.73089002e+01 13 -4.18680167e+01 -2.82600513e+01 -1.25862519e+02 14 2.20592986e+01 2.86060874e+01 -1.89414872e+01 15 1.10761282e+02 -1.91986290e+01 3.90431240e+01 16 1.48814131e+01 8.51684066e+01 3.70964164e+01 17 -3.13882315e+01 -2.10234676e+01 -2.04254151e+01 18 1.44974784e+01 1.22551856e+01 -8.60830231e-01 19 1.45633623e+01 -3.23621763e+01 2.29322171e+01 20 -1.61982269e+01 2.26067470e+01 2.06572633e+01 21 -3.70433914e+01 -2.98937478e+01 1.34931738e+01 22 5.40271538e+01 7.77734919e+01 6.68140356e+01 23 1.79779392e+01 -8.60868751e+00 1.87460944e+01 24 -5.38646824e-01 1.74328522e+01 1.67638802e+01 25 -6.42409708e+01 -1.01189435e+01 1.99024388e+01 26 -1.56360839e+01 6.22010203e+01 -2.23690905e+01 27 5.02980371e+01 -1.05659840e+02 3.50860637e+01 28 -8.89345106e+01 7.83013268e+01 1.53814008e+01 29 -8.19479750e+00 -4.02637750e+01 2.33863865e+01 30 2.39803469e+01 3.85477111e+01 6.09589845e+00 31 4.18749317e+01 -2.65732598e+01 3.37152726e+01 32 2.38386890e+01 4.00442294e+01 4.24634309e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = W (Configuration in file "config-T-W.xyz") ----------------------------------------------------------------------------------------------------- Energy = 180.287784382647 Forces: 1 -2.24942674e+01 -2.30501095e+01 -3.47771244e+01 2 -2.08234020e+01 3.63975416e+01 -2.29349664e+01 3 8.31921938e+00 -2.34522651e+01 2.27864621e+01 4 -1.62315245e+01 2.05779112e+01 1.51065848e+01 5 1.88034212e+01 -4.62898801e+01 -1.41243280e+01 6 2.42881943e+01 1.26130814e+01 -2.64485247e+01 7 1.05845524e+01 -8.91382122e+01 -7.65163090e+01 8 -3.68245864e+01 -3.38338135e+01 1.29225399e+01 9 -8.09445830e+00 -4.43030112e+01 -4.67828735e+01 10 -8.95308743e+00 3.53562926e+01 -4.78310076e+01 11 -9.59921169e-02 -3.10256979e+01 -4.18271075e+01 12 -3.31951255e+01 4.51736823e+01 3.73089002e+01 13 -4.18680167e+01 -2.82600513e+01 -1.25862519e+02 14 2.20592986e+01 2.86060874e+01 -1.89414872e+01 15 1.10761282e+02 -1.91986290e+01 3.90431240e+01 16 1.48814131e+01 8.51684066e+01 3.70964164e+01 17 -3.13882315e+01 -2.10234676e+01 -2.04254151e+01 18 1.44974784e+01 1.22551856e+01 -8.60830231e-01 19 1.45633623e+01 -3.23621763e+01 2.29322171e+01 20 -1.61982269e+01 2.26067470e+01 2.06572633e+01 21 -3.70433914e+01 -2.98937478e+01 1.34931738e+01 22 5.40271538e+01 7.77734919e+01 6.68140356e+01 23 1.79779392e+01 -8.60868751e+00 1.87460944e+01 24 -5.38646824e-01 1.74328522e+01 1.67638802e+01 25 -6.42409708e+01 -1.01189435e+01 1.99024388e+01 26 -1.56360839e+01 6.22010203e+01 -2.23690905e+01 27 5.02980371e+01 -1.05659840e+02 3.50860637e+01 28 -8.89345106e+01 7.83013268e+01 1.53814008e+01 29 -8.19479750e+00 -4.02637750e+01 2.33863865e+01 30 2.39803469e+01 3.85477111e+01 6.09589845e+00 31 4.18749317e+01 -2.65732598e+01 3.37152726e+01 32 2.38386890e+01 4.00442294e+01 4.24634309e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==254528== Memcheck, a memory error detector ==254528== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==254528== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==254528== Command: python runner2.py EAM_Dynamo_MarinicaVentelonGilbert_2013EAM2_W__MO_204305659515_000 ==254528== ==254821== Warning: invalid file descriptor 255988 in syscall close() ==254821== Warning: invalid file descriptor 255989 in syscall close() ==254821== Warning: invalid file descriptor 255990 in syscall close() ==254821== Warning: invalid file descriptor 255991 in syscall close() ==254821== Use --log-fd= to select an alternative log fd. ==254821== Warning: invalid file descriptor 255992 in syscall close() ==254821== Warning: invalid file descriptor 255993 in syscall close() ==254528== ==254528== HEAP SUMMARY: ==254528== in use at exit: 2,257,559 bytes in 1,700 blocks ==254528== total heap usage: 45,221 allocs, 43,521 frees, 177,503,405 bytes allocated ==254528== ==254528== LEAK SUMMARY: ==254528== definitely lost: 0 bytes in 0 blocks ==254528== indirectly lost: 0 bytes in 0 blocks ==254528== possibly lost: 180,827 bytes in 103 blocks ==254528== still reachable: 2,076,700 bytes in 1,596 blocks ==254528== of which reachable via heuristic: ==254528== stdstring : 38 bytes in 1 blocks ==254528== suppressed: 32 bytes in 1 blocks ==254528== Rerun with --leak-check=full to see details of leaked memory ==254528== ==254528== For lists of detected and suppressed errors, rerun with: -s ==254528== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 7763 from 562) ================================================================================ 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.