Enter a model name: === Verification check vc-memory-leak start (2022-11-30 10:16:29) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_StollerTammBeland_2016_Ni__MO_103383163946_000 Supported species : Ni random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Ni (Configuration in file "config-F-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = -36.396496827770456 Forces: 1 -6.69334532e+00 -6.10156618e+00 -9.78725663e+00 2 -5.49397777e+00 9.36853095e+00 -4.58528816e+00 3 5.31620127e+00 -6.24253049e+00 4.64017080e+00 4 -4.61498302e+00 6.10114894e+00 5.00072616e+00 5 2.27698974e+00 -1.29484831e+01 -1.18716812e+00 6 6.50586123e+00 5.58509104e+00 -5.34192554e+00 7 4.07517489e+00 -2.67804836e+01 -2.43196492e+01 8 -8.90272282e+00 -9.31023906e+00 -7.56462821e+00 9 -1.78987851e+00 -6.30520796e+00 -8.84314700e+00 10 -7.04767897e+00 7.22956543e+00 -1.31309052e+01 11 -4.75378771e+00 -7.38176943e+00 -3.11549532e+00 12 -3.55114192e+00 8.98223019e+00 5.78854473e+00 13 -1.08103193e+01 -1.03920982e+01 -3.06266487e+01 14 3.83319029e+00 4.58348845e+00 -1.91059229e+00 15 3.24930939e+01 2.56390551e+00 9.04034020e+00 16 7.67539927e+00 2.37624028e+01 1.15514983e+01 17 -5.63772916e+00 -2.58482681e+00 -4.96025220e+00 18 -5.08403585e+00 -5.14128271e-01 5.94578068e+00 19 3.91695461e+00 -3.33455591e+00 4.25950530e+00 20 -8.49204354e-01 4.11688244e+00 2.29153036e+00 21 -7.73271412e+00 -6.72189917e+00 8.09839761e+00 22 1.33864722e+01 2.07310172e+01 1.71582448e+01 23 2.03012935e+00 -1.72496892e+00 5.53644021e+00 24 -8.59642600e-01 2.48780263e-01 3.09255764e+00 25 -8.28811615e+00 -9.35269778e+00 -2.48925745e+00 26 -3.46696635e+00 1.57419729e+01 -1.08800601e+01 27 9.31910630e+00 -2.85162476e+01 1.35653624e+01 28 -2.39698403e+01 2.31906301e+01 5.11334656e+00 29 -5.94313197e+00 -3.92886798e+00 8.90093677e+00 30 3.74976672e+00 7.21869646e+00 -2.98416840e+00 31 1.33199595e+01 -8.41698467e+00 1.04309315e+01 32 7.59091684e+00 1.11332123e+01 1.13121285e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ni (Configuration in file "config-T-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = -36.396496827770456 Forces: 1 -6.69334532e+00 -6.10156618e+00 -9.78725663e+00 2 -5.49397777e+00 9.36853095e+00 -4.58528816e+00 3 5.31620127e+00 -6.24253049e+00 4.64017080e+00 4 -4.61498302e+00 6.10114894e+00 5.00072616e+00 5 2.27698974e+00 -1.29484831e+01 -1.18716812e+00 6 6.50586123e+00 5.58509104e+00 -5.34192554e+00 7 4.07517489e+00 -2.67804836e+01 -2.43196492e+01 8 -8.90272282e+00 -9.31023906e+00 -7.56462821e+00 9 -1.78987851e+00 -6.30520796e+00 -8.84314700e+00 10 -7.04767897e+00 7.22956543e+00 -1.31309052e+01 11 -4.75378771e+00 -7.38176943e+00 -3.11549532e+00 12 -3.55114192e+00 8.98223019e+00 5.78854473e+00 13 -1.08103193e+01 -1.03920982e+01 -3.06266487e+01 14 3.83319029e+00 4.58348845e+00 -1.91059229e+00 15 3.24930939e+01 2.56390551e+00 9.04034020e+00 16 7.67539927e+00 2.37624028e+01 1.15514983e+01 17 -5.63772916e+00 -2.58482681e+00 -4.96025220e+00 18 -5.08403585e+00 -5.14128271e-01 5.94578068e+00 19 3.91695461e+00 -3.33455591e+00 4.25950530e+00 20 -8.49204354e-01 4.11688244e+00 2.29153036e+00 21 -7.73271412e+00 -6.72189917e+00 8.09839761e+00 22 1.33864722e+01 2.07310172e+01 1.71582448e+01 23 2.03012935e+00 -1.72496892e+00 5.53644021e+00 24 -8.59642600e-01 2.48780263e-01 3.09255764e+00 25 -8.28811615e+00 -9.35269778e+00 -2.48925745e+00 26 -3.46696635e+00 1.57419729e+01 -1.08800601e+01 27 9.31910630e+00 -2.85162476e+01 1.35653624e+01 28 -2.39698403e+01 2.31906301e+01 5.11334656e+00 29 -5.94313197e+00 -3.92886798e+00 8.90093677e+00 30 3.74976672e+00 7.21869646e+00 -2.98416840e+00 31 1.33199595e+01 -8.41698467e+00 1.04309315e+01 32 7.59091684e+00 1.11332123e+01 1.13121285e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==1396811== Memcheck, a memory error detector ==1396811== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==1396811== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==1396811== Command: python runner2.py EAM_Dynamo_StollerTammBeland_2016_Ni__MO_103383163946_000 ==1396811== ==1398747== Warning: invalid file descriptor 1024 in syscall close() ==1398747== Warning: invalid file descriptor 1025 in syscall close() ==1398747== Warning: invalid file descriptor 1026 in syscall close() ==1398747== Warning: invalid file descriptor 1027 in syscall close() ==1398747== Use --log-fd= to select an alternative log fd. ==1398747== Warning: invalid file descriptor 1028 in syscall close() ==1398747== Warning: invalid file descriptor 1029 in syscall close() ==1396811== ==1396811== HEAP SUMMARY: ==1396811== in use at exit: 2,257,559 bytes in 1,700 blocks ==1396811== total heap usage: 45,235 allocs, 43,535 frees, 71,506,456 bytes allocated ==1396811== ==1396811== LEAK SUMMARY: ==1396811== definitely lost: 0 bytes in 0 blocks ==1396811== indirectly lost: 0 bytes in 0 blocks ==1396811== possibly lost: 180,827 bytes in 103 blocks ==1396811== still reachable: 2,076,700 bytes in 1,596 blocks ==1396811== of which reachable via heuristic: ==1396811== stdstring : 38 bytes in 1 blocks ==1396811== suppressed: 32 bytes in 1 blocks ==1396811== Rerun with --leak-check=full to see details of leaked memory ==1396811== ==1396811== For lists of detected and suppressed errors, rerun with: -s ==1396811== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 7769 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. === Verification check vc-memory-leak end (2022-11-30 10:17:00) ===