!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_ZhouJohnsonWadley_2004_Fe__MO_650279905230_005 Supported species : Fe random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Fe (Configuration in file "config-F-Fe.xyz") ----------------------------------------------------------------------------------------------------- Energy = 27.837168050065213 Forces: 1 -9.49475310e+00 -8.48907551e+00 -1.64123279e+01 2 -9.41252476e+00 1.28779058e+01 -6.16049694e+00 3 1.87105665e+01 -1.68993675e+01 -4.64615036e+00 4 -1.43712229e+01 1.04489229e+01 -2.46639611e+00 5 2.29201173e+00 -2.03936162e+01 -6.74700218e-01 6 1.21783359e+01 7.46936851e+00 -1.13969106e+01 7 2.74632489e+00 -4.20892857e+01 -3.89905908e+01 8 -1.27406536e+01 -9.84225358e+00 7.55168350e+00 9 -6.86948399e+00 -1.26462162e+01 -1.81460022e+01 10 -7.23325232e+00 1.71040494e+01 -2.24537841e+01 11 5.61140977e+00 -1.44789232e+01 -4.29433466e+00 12 -1.17700799e+01 2.16639800e+01 2.68738362e+00 13 -1.68727706e+01 -1.81906778e+01 -5.89522007e+01 14 9.18525568e+00 1.53707432e+01 -1.21012776e+01 15 4.79957262e+01 -1.83084931e+01 2.12426764e+01 16 1.77479044e+00 4.10938309e+01 2.16420418e+01 17 -2.48006994e+01 -1.36860402e+01 6.10368293e-01 18 1.93235609e+01 1.62333781e+01 6.20478435e+00 19 8.65320745e+00 -1.07741529e+01 9.12371746e+00 20 -6.43264777e+00 9.12574358e+00 9.21302830e+00 21 -1.64172750e+01 -1.03492197e+01 9.93648531e+00 22 2.29673718e+01 3.91252981e+01 2.77000857e+01 23 5.54845482e+00 -3.89377327e+00 1.04083995e+01 24 -2.90141692e+00 3.90860420e+00 3.24413393e+00 25 -1.96557385e+01 -4.87193082e+00 2.37653300e+01 26 -9.33919639e+00 2.02807682e+01 -1.19465127e+01 27 2.29693974e+01 -4.98734628e+01 9.89047073e+00 28 -4.08585308e+01 3.48627540e+01 3.08050169e+00 29 -8.81524134e+00 -1.78934696e+01 5.09837504e+00 30 8.90161114e+00 1.81589064e+01 5.32008729e+00 31 1.77472132e+01 -1.19357326e+01 1.47767368e+01 32 1.13802497e+01 1.68914375e+01 1.71453951e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Fe (Configuration in file "config-T-Fe.xyz") ----------------------------------------------------------------------------------------------------- Energy = 27.837168050065213 Forces: 1 -9.49475310e+00 -8.48907551e+00 -1.64123279e+01 2 -9.41252476e+00 1.28779058e+01 -6.16049694e+00 3 1.87105665e+01 -1.68993675e+01 -4.64615036e+00 4 -1.43712229e+01 1.04489229e+01 -2.46639611e+00 5 2.29201173e+00 -2.03936162e+01 -6.74700218e-01 6 1.21783359e+01 7.46936851e+00 -1.13969106e+01 7 2.74632489e+00 -4.20892857e+01 -3.89905908e+01 8 -1.27406536e+01 -9.84225358e+00 7.55168350e+00 9 -6.86948399e+00 -1.26462162e+01 -1.81460022e+01 10 -7.23325232e+00 1.71040494e+01 -2.24537841e+01 11 5.61140977e+00 -1.44789232e+01 -4.29433466e+00 12 -1.17700799e+01 2.16639800e+01 2.68738362e+00 13 -1.68727706e+01 -1.81906778e+01 -5.89522007e+01 14 9.18525568e+00 1.53707432e+01 -1.21012776e+01 15 4.79957262e+01 -1.83084931e+01 2.12426764e+01 16 1.77479044e+00 4.10938309e+01 2.16420418e+01 17 -2.48006994e+01 -1.36860402e+01 6.10368293e-01 18 1.93235609e+01 1.62333781e+01 6.20478435e+00 19 8.65320745e+00 -1.07741529e+01 9.12371746e+00 20 -6.43264777e+00 9.12574358e+00 9.21302830e+00 21 -1.64172750e+01 -1.03492197e+01 9.93648531e+00 22 2.29673718e+01 3.91252981e+01 2.77000857e+01 23 5.54845482e+00 -3.89377327e+00 1.04083995e+01 24 -2.90141692e+00 3.90860420e+00 3.24413393e+00 25 -1.96557385e+01 -4.87193082e+00 2.37653300e+01 26 -9.33919639e+00 2.02807682e+01 -1.19465127e+01 27 2.29693974e+01 -4.98734628e+01 9.89047073e+00 28 -4.08585308e+01 3.48627540e+01 3.08050169e+00 29 -8.81524134e+00 -1.78934696e+01 5.09837504e+00 30 8.90161114e+00 1.81589064e+01 5.32008729e+00 31 1.77472132e+01 -1.19357326e+01 1.47767368e+01 32 1.13802497e+01 1.68914375e+01 1.71453951e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==1304762== Memcheck, a memory error detector ==1304762== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==1304762== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==1304762== Command: python runner2.py EAM_Dynamo_ZhouJohnsonWadley_2004_Fe__MO_650279905230_005 ==1304762== ==1306139== Warning: invalid file descriptor 1024 in syscall close() ==1306139== Warning: invalid file descriptor 1025 in syscall close() ==1306139== Warning: invalid file descriptor 1026 in syscall close() ==1306139== Warning: invalid file descriptor 1027 in syscall close() ==1306139== Use --log-fd= to select an alternative log fd. ==1306139== Warning: invalid file descriptor 1028 in syscall close() ==1306139== Warning: invalid file descriptor 1029 in syscall close() ==1304762== ==1304762== HEAP SUMMARY: ==1304762== in use at exit: 2,257,559 bytes in 1,700 blocks ==1304762== total heap usage: 45,235 allocs, 43,535 frees, 61,329,219 bytes allocated ==1304762== ==1304762== LEAK SUMMARY: ==1304762== definitely lost: 0 bytes in 0 blocks ==1304762== indirectly lost: 0 bytes in 0 blocks ==1304762== possibly lost: 180,827 bytes in 103 blocks ==1304762== still reachable: 2,076,700 bytes in 1,596 blocks ==1304762== of which reachable via heuristic: ==1304762== stdstring : 38 bytes in 1 blocks ==1304762== suppressed: 32 bytes in 1 blocks ==1304762== Rerun with --leak-check=full to see details of leaked memory ==1304762== ==1304762== For lists of detected and suppressed errors, rerun with: -s ==1304762== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 7764 from 552) ================================================================================ 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.