!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_MendelevKramerBecker_2008_Al__MO_106969701023_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 = 66960.71200419115 Forces: 1 -5.18529553e+03 -5.36572180e+03 -3.66556207e+03 2 -1.12756888e+04 -1.76213894e+04 -2.88005371e+04 3 -1.12534789e+04 -2.07145114e+04 -3.19848513e+03 4 -2.16870536e+04 -1.18148081e+04 -5.81655903e+03 5 -2.92946423e+03 -2.02017996e+04 -1.48068955e+04 6 1.71413792e+04 -6.86875471e+03 -2.11211090e+04 7 2.26327989e+04 -3.22111869e+04 -5.93921082e+03 8 3.00718244e+04 -8.12208302e+04 -3.85729165e+04 9 -2.03626732e+04 2.57473681e+03 -2.22367988e+04 10 -7.47041632e+03 2.55656109e+04 -2.42955926e+04 11 -7.51540688e+04 8.99947548e+03 -4.11725157e+04 12 -2.14604342e+04 1.66502152e+04 -3.39578271e+03 13 1.88815753e+04 1.99243132e+04 -5.38305414e+04 14 1.04981587e+04 1.07700410e+04 -1.06462064e+04 15 6.25982174e+04 2.55405311e+04 -2.73456332e+04 16 1.20500279e+04 6.57076074e+04 -2.30346459e+04 17 -5.95038859e+03 -5.77224277e+03 2.59811590e+03 18 -3.05621744e+04 -3.20093050e+04 2.56936332e+04 19 -4.04444690e+03 -7.32684572e+03 6.33392970e+03 20 -5.97454996e+03 -2.72236418e+03 5.66194676e+03 21 4.02556044e+03 -2.61635110e+04 1.35240735e+04 22 3.41910927e+04 -2.04987588e+04 1.50936984e+04 23 3.55829448e+03 -5.51837002e+03 5.35548666e+03 24 1.88444132e+03 -1.39123659e+04 2.55842206e+04 25 -3.46161898e+04 8.92058377e+03 1.87762437e+04 26 -2.44783684e+04 4.05225148e+04 2.12838416e+04 27 -1.60873992e+04 3.24169363e+03 2.42722896e+04 28 -7.51885962e+03 4.25531715e+03 7.74166440e+03 29 3.47729239e+04 3.16031558e+04 8.71010022e+04 30 2.79234386e+04 2.54368706e+04 4.98234513e+03 31 2.86722380e+04 1.29180018e+03 3.51701566e+04 32 -2.89102083e+03 1.89382984e+04 2.87063438e+04 MONOATOMIC STRUCTURE (pbc=True)-- Species = Al (Configuration in file "config-T-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 66960.71200419115 Forces: 1 -5.18529553e+03 -5.36572180e+03 -3.66556207e+03 2 -1.12756888e+04 -1.76213894e+04 -2.88005371e+04 3 -1.12534789e+04 -2.07145114e+04 -3.19848513e+03 4 -2.16870536e+04 -1.18148081e+04 -5.81655903e+03 5 -2.92946423e+03 -2.02017996e+04 -1.48068955e+04 6 1.71413792e+04 -6.86875471e+03 -2.11211090e+04 7 2.26327989e+04 -3.22111869e+04 -5.93921082e+03 8 3.00718244e+04 -8.12208302e+04 -3.85729165e+04 9 -2.03626732e+04 2.57473681e+03 -2.22367988e+04 10 -7.47041632e+03 2.55656109e+04 -2.42955926e+04 11 -7.51540688e+04 8.99947548e+03 -4.11725157e+04 12 -2.14604342e+04 1.66502152e+04 -3.39578271e+03 13 1.88815753e+04 1.99243132e+04 -5.38305414e+04 14 1.04981587e+04 1.07700410e+04 -1.06462064e+04 15 6.25982174e+04 2.55405311e+04 -2.73456332e+04 16 1.20500279e+04 6.57076074e+04 -2.30346459e+04 17 -5.95038859e+03 -5.77224277e+03 2.59811590e+03 18 -3.05621744e+04 -3.20093050e+04 2.56936332e+04 19 -4.04444690e+03 -7.32684572e+03 6.33392970e+03 20 -5.97454996e+03 -2.72236418e+03 5.66194676e+03 21 4.02556044e+03 -2.61635110e+04 1.35240735e+04 22 3.41910927e+04 -2.04987588e+04 1.50936984e+04 23 3.55829448e+03 -5.51837002e+03 5.35548666e+03 24 1.88444132e+03 -1.39123659e+04 2.55842206e+04 25 -3.46161898e+04 8.92058377e+03 1.87762437e+04 26 -2.44783684e+04 4.05225148e+04 2.12838416e+04 27 -1.60873992e+04 3.24169363e+03 2.42722896e+04 28 -7.51885962e+03 4.25531715e+03 7.74166440e+03 29 3.47729239e+04 3.16031558e+04 8.71010022e+04 30 2.79234386e+04 2.54368706e+04 4.98234513e+03 31 2.86722380e+04 1.29180018e+03 3.51701566e+04 32 -2.89102083e+03 1.89382984e+04 2.87063438e+04 ================================================================================ VALGRIND OUTPUT ================================================================================ ==47980== Memcheck, a memory error detector ==47980== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==47980== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==47980== Command: python runner2.py EAM_Dynamo_MendelevKramerBecker_2008_Al__MO_106969701023_005 ==47980== ==48840== Warning: invalid file descriptor 1048564 in syscall close() ==48840== Warning: invalid file descriptor 1048565 in syscall close() ==48840== Warning: invalid file descriptor 1048566 in syscall close() ==48840== Warning: invalid file descriptor 1048567 in syscall close() ==48840== Use --log-fd= to select an alternative log fd. ==48840== Warning: invalid file descriptor 1048568 in syscall close() ==48840== Warning: invalid file descriptor 1048569 in syscall close() ==48850== Warning: invalid file descriptor 1048564 in syscall close() ==48850== Warning: invalid file descriptor 1048565 in syscall close() ==48850== Warning: invalid file descriptor 1048566 in syscall close() ==48850== Warning: invalid file descriptor 1048567 in syscall close() ==48850== Use --log-fd= to select an alternative log fd. ==48850== Warning: invalid file descriptor 1048568 in syscall close() ==48850== Warning: invalid file descriptor 1048569 in syscall close() ==48994== Warning: invalid file descriptor 1048564 in syscall close() ==48994== Warning: invalid file descriptor 1048565 in syscall close() ==48994== Warning: invalid file descriptor 1048566 in syscall close() ==48994== Warning: invalid file descriptor 1048567 in syscall close() ==48994== Use --log-fd= to select an alternative log fd. ==48994== Warning: invalid file descriptor 1048568 in syscall close() ==48994== Warning: invalid file descriptor 1048569 in syscall close() ==48995== Warning: invalid file descriptor 1048564 in syscall close() ==48995== Warning: invalid file descriptor 1048565 in syscall close() ==48995== Warning: invalid file descriptor 1048566 in syscall close() ==48995== Warning: invalid file descriptor 1048567 in syscall close() ==48995== Use --log-fd= to select an alternative log fd. ==48995== Warning: invalid file descriptor 1048568 in syscall close() ==48995== Warning: invalid file descriptor 1048569 in syscall close() ==49005== Warning: invalid file descriptor 1048564 in syscall close() ==49005== Warning: invalid file descriptor 1048565 in syscall close() ==49005== Warning: invalid file descriptor 1048566 in syscall close() ==49005== Warning: invalid file descriptor 1048567 in syscall close() ==49005== Use --log-fd= to select an alternative log fd. ==49005== Warning: invalid file descriptor 1048568 in syscall close() ==49005== Warning: invalid file descriptor 1048569 in syscall close() ==49010== Warning: invalid file descriptor 1048564 in syscall close() ==49010== Warning: invalid file descriptor 1048565 in syscall close() ==49010== Warning: invalid file descriptor 1048566 in syscall close() ==49010== Warning: invalid file descriptor 1048567 in syscall close() ==49010== Use --log-fd= to select an alternative log fd. ==49010== Warning: invalid file descriptor 1048568 in syscall close() ==49010== Warning: invalid file descriptor 1048569 in syscall close() ==47980== ==47980== HEAP SUMMARY: ==47980== in use at exit: 1,718,292 bytes in 1,321 blocks ==47980== total heap usage: 31,120 allocs, 29,799 frees, 47,289,002 bytes allocated ==47980== ==47980== LEAK SUMMARY: ==47980== definitely lost: 0 bytes in 0 blocks ==47980== indirectly lost: 0 bytes in 0 blocks ==47980== possibly lost: 178,943 bytes in 97 blocks ==47980== still reachable: 1,539,349 bytes in 1,224 blocks ==47980== suppressed: 0 bytes in 0 blocks ==47980== Rerun with --leak-check=full to see details of leaked memory ==47980== ==47980== For counts of detected and suppressed errors, rerun with: -v ==47980== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 16352 from 600) ================================================================================ 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.