!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_WineyKubotaGupta_2010_Al__MO_149316865608_005 Supported species : Al random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Al (Configuration in file "config-F-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 70.26381692947797 Forces: 1 -3.54499536e+00 -7.36802986e+00 -8.08716068e+00 2 -6.34152678e+00 7.58033610e+00 -7.44601187e+00 3 5.32858409e+00 -1.50035772e+01 -1.25048261e+01 4 -6.76988338e+00 5.74397560e+00 4.53051199e+00 5 5.71035336e+00 -1.35869050e+01 -3.66743356e+00 6 5.55418008e+00 1.15865653e+00 -5.69656751e+00 7 8.09479004e+00 -2.12859515e+01 -2.13034338e+01 8 -1.13773585e+01 -8.30825801e+00 -3.55992259e+00 9 -8.58825261e+00 -2.42261122e+00 -1.52153765e+01 10 -5.84279817e+00 1.34838941e+01 -1.90035036e+01 11 -1.79402348e+00 -1.30807596e+01 9.45429732e+00 12 -1.02013771e+01 1.88759357e+01 -8.53006006e+00 13 -4.03474622e+00 -8.87108396e+00 -3.33380249e+01 14 4.47704472e+00 4.15567526e+00 -3.91382661e+00 15 2.92820332e+01 4.63142281e+00 8.99895782e+00 16 3.74036387e+00 2.06791155e+01 2.14388212e+01 17 -1.27567070e+01 -3.94003957e+00 4.04235749e+00 18 -1.39541122e-01 1.28362396e+01 7.03643111e+00 19 2.40415549e-01 -6.36333325e+00 5.26021720e+00 20 -3.76547231e+00 3.23952195e+00 3.05885568e+00 21 -4.65548381e+00 -1.00975557e+01 9.12528928e+00 22 1.32023859e+01 1.35748870e+01 1.46389885e+01 23 3.07317829e+00 -2.34622427e+00 4.17215117e+00 24 4.67331997e-01 1.67206912e+00 7.19186750e+00 25 -5.08576253e+00 -1.36315263e+01 1.45022461e+01 26 -4.98062626e-01 1.19007015e+01 -9.09914311e+00 27 5.53953343e+00 -2.37456934e+01 8.25953954e+00 28 -1.95784288e+01 1.58829961e+01 4.05809310e+00 29 -8.04322573e+00 3.33317865e-01 3.23673308e+00 30 6.53453637e+00 7.55690637e+00 7.11191379e-02 31 1.30135454e+01 -4.81697682e+00 9.87549706e+00 32 8.75936906e+00 1.15628745e+01 1.24133167e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Al (Configuration in file "config-T-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 70.26381692947797 Forces: 1 -3.54499536e+00 -7.36802986e+00 -8.08716068e+00 2 -6.34152678e+00 7.58033610e+00 -7.44601187e+00 3 5.32858409e+00 -1.50035772e+01 -1.25048261e+01 4 -6.76988338e+00 5.74397560e+00 4.53051199e+00 5 5.71035336e+00 -1.35869050e+01 -3.66743356e+00 6 5.55418008e+00 1.15865653e+00 -5.69656751e+00 7 8.09479004e+00 -2.12859515e+01 -2.13034338e+01 8 -1.13773585e+01 -8.30825801e+00 -3.55992259e+00 9 -8.58825261e+00 -2.42261122e+00 -1.52153765e+01 10 -5.84279817e+00 1.34838941e+01 -1.90035036e+01 11 -1.79402348e+00 -1.30807596e+01 9.45429732e+00 12 -1.02013771e+01 1.88759357e+01 -8.53006006e+00 13 -4.03474622e+00 -8.87108396e+00 -3.33380249e+01 14 4.47704472e+00 4.15567526e+00 -3.91382661e+00 15 2.92820332e+01 4.63142281e+00 8.99895782e+00 16 3.74036387e+00 2.06791155e+01 2.14388212e+01 17 -1.27567070e+01 -3.94003957e+00 4.04235749e+00 18 -1.39541122e-01 1.28362396e+01 7.03643111e+00 19 2.40415549e-01 -6.36333325e+00 5.26021720e+00 20 -3.76547231e+00 3.23952195e+00 3.05885568e+00 21 -4.65548381e+00 -1.00975557e+01 9.12528928e+00 22 1.32023859e+01 1.35748870e+01 1.46389885e+01 23 3.07317829e+00 -2.34622427e+00 4.17215117e+00 24 4.67331997e-01 1.67206912e+00 7.19186750e+00 25 -5.08576253e+00 -1.36315263e+01 1.45022461e+01 26 -4.98062626e-01 1.19007015e+01 -9.09914311e+00 27 5.53953343e+00 -2.37456934e+01 8.25953954e+00 28 -1.95784288e+01 1.58829961e+01 4.05809310e+00 29 -8.04322573e+00 3.33317865e-01 3.23673308e+00 30 6.53453637e+00 7.55690637e+00 7.11191379e-02 31 1.30135454e+01 -4.81697682e+00 9.87549706e+00 32 8.75936906e+00 1.15628745e+01 1.24133167e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==73848== Memcheck, a memory error detector ==73848== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==73848== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==73848== Command: python runner2.py EAM_Dynamo_WineyKubotaGupta_2010_Al__MO_149316865608_005 ==73848== ==75544== Warning: invalid file descriptor 1048564 in syscall close() ==75544== Warning: invalid file descriptor 1048565 in syscall close() ==75544== Warning: invalid file descriptor 1048566 in syscall close() ==75544== Warning: invalid file descriptor 1048567 in syscall close() ==75544== Use --log-fd= to select an alternative log fd. ==75544== Warning: invalid file descriptor 1048568 in syscall close() ==75544== Warning: invalid file descriptor 1048569 in syscall close() ==75566== Warning: invalid file descriptor 1048564 in syscall close() ==75566== Warning: invalid file descriptor 1048565 in syscall close() ==75566== Warning: invalid file descriptor 1048566 in syscall close() ==75566== Warning: invalid file descriptor 1048567 in syscall close() ==75566== Use --log-fd= to select an alternative log fd. ==75566== Warning: invalid file descriptor 1048568 in syscall close() ==75566== Warning: invalid file descriptor 1048569 in syscall close() ==75595== Warning: invalid file descriptor 1048564 in syscall close() ==75595== Warning: invalid file descriptor 1048565 in syscall close() ==75595== Warning: invalid file descriptor 1048566 in syscall close() ==75595== Warning: invalid file descriptor 1048567 in syscall close() ==75595== Use --log-fd= to select an alternative log fd. ==75595== Warning: invalid file descriptor 1048568 in syscall close() ==75595== Warning: invalid file descriptor 1048569 in syscall close() ==75596== Warning: invalid file descriptor 1048564 in syscall close() ==75596== Warning: invalid file descriptor 1048565 in syscall close() ==75596== Warning: invalid file descriptor 1048566 in syscall close() ==75596== Warning: invalid file descriptor 1048567 in syscall close() ==75596== Use --log-fd= to select an alternative log fd. ==75596== Warning: invalid file descriptor 1048568 in syscall close() ==75596== Warning: invalid file descriptor 1048569 in syscall close() ==75597== Warning: invalid file descriptor 1048564 in syscall close() ==75597== Warning: invalid file descriptor 1048565 in syscall close() ==75597== Warning: invalid file descriptor 1048566 in syscall close() ==75597== Warning: invalid file descriptor 1048567 in syscall close() ==75597== Use --log-fd= to select an alternative log fd. ==75597== Warning: invalid file descriptor 1048568 in syscall close() ==75597== Warning: invalid file descriptor 1048569 in syscall close() ==75598== Warning: invalid file descriptor 1048564 in syscall close() ==75598== Warning: invalid file descriptor 1048565 in syscall close() ==75598== Warning: invalid file descriptor 1048566 in syscall close() ==75598== Warning: invalid file descriptor 1048567 in syscall close() ==75598== Use --log-fd= to select an alternative log fd. ==75598== Warning: invalid file descriptor 1048568 in syscall close() ==75598== Warning: invalid file descriptor 1048569 in syscall close() ==73848== ==73848== HEAP SUMMARY: ==73848== in use at exit: 1,718,292 bytes in 1,321 blocks ==73848== total heap usage: 31,120 allocs, 29,799 frees, 42,968,563 bytes allocated ==73848== ==73848== LEAK SUMMARY: ==73848== definitely lost: 0 bytes in 0 blocks ==73848== indirectly lost: 0 bytes in 0 blocks ==73848== possibly lost: 178,943 bytes in 97 blocks ==73848== still reachable: 1,539,349 bytes in 1,224 blocks ==73848== suppressed: 0 bytes in 0 blocks ==73848== Rerun with --leak-check=full to see details of leaked memory ==73848== ==73848== For counts of detected and suppressed errors, rerun with: -v ==73848== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 16330 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.