!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_MishinFarkasMehl_1999_Al__MO_651801486679_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 = 15.748761993913762 Forces: 1 -3.32162829e+00 -2.71300473e+00 -3.36275997e+00 2 1.54870680e+00 -1.27661339e+00 -6.91170371e+00 3 2.36517018e+00 -6.00637134e+00 5.90550082e-01 4 -6.54962548e+00 2.23909375e+00 -1.91220677e-01 5 -1.06655748e+00 -4.38847849e+00 -3.37430979e+00 6 3.91511554e+00 1.32338062e+00 -3.92407177e+00 7 3.38281875e+00 -3.63218385e+00 -2.44534997e-01 8 -1.00221356e+00 -2.00452495e+00 1.11382402e+00 9 -4.44346632e+00 -3.71808845e-01 -5.60229590e+00 10 5.99649597e-01 6.29311888e+00 -4.91648454e+00 11 -2.64053310e+00 -2.60777313e+00 -4.18960002e-01 12 -5.78211171e+00 4.78440533e+00 1.07238926e+00 13 2.13438730e+00 -1.63799725e+00 -7.32136027e+00 14 4.45057203e+00 3.92477612e+00 -4.84225909e+00 15 6.95308202e+00 -1.92040473e+00 -6.87300936e-01 16 -2.10716903e+00 8.77559991e+00 -6.59961069e-01 17 -5.81740293e+00 -4.53392701e+00 1.98390481e-01 18 1.68180667e+00 5.03820659e-01 -5.29383420e-01 19 2.36383462e+00 -5.91260518e+00 3.58787028e+00 20 -4.53291675e+00 2.10374374e+00 5.28772190e+00 21 -2.22323723e+00 -4.54992724e+00 8.40261076e-01 22 5.67891061e+00 1.04095244e+00 5.70116811e-01 23 2.61351553e+00 -1.90940955e+00 4.18526096e+00 24 9.64957451e-01 -8.50099041e-01 4.75955568e+00 25 -6.20728830e+00 -1.12678257e+00 -7.12275618e-01 26 5.08466649e-01 7.22826243e+00 -1.14052948e+00 27 -1.09941210e+00 -1.37663672e+00 6.09639030e+00 28 -4.54191307e+00 3.00072982e+00 3.47791240e+00 29 3.69225285e-01 -3.17289609e+00 1.97508215e+00 30 5.34551105e+00 5.09109470e+00 1.76372007e+00 31 4.76341606e+00 -9.09560949e-01 4.24298153e+00 32 1.69632920e+00 4.59202666e+00 5.07738422e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Al (Configuration in file "config-T-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 15.748761993913762 Forces: 1 -3.32162829e+00 -2.71300473e+00 -3.36275997e+00 2 1.54870680e+00 -1.27661339e+00 -6.91170371e+00 3 2.36517018e+00 -6.00637134e+00 5.90550082e-01 4 -6.54962548e+00 2.23909375e+00 -1.91220677e-01 5 -1.06655748e+00 -4.38847849e+00 -3.37430979e+00 6 3.91511554e+00 1.32338062e+00 -3.92407177e+00 7 3.38281875e+00 -3.63218385e+00 -2.44534997e-01 8 -1.00221356e+00 -2.00452495e+00 1.11382402e+00 9 -4.44346632e+00 -3.71808845e-01 -5.60229590e+00 10 5.99649597e-01 6.29311888e+00 -4.91648454e+00 11 -2.64053310e+00 -2.60777313e+00 -4.18960002e-01 12 -5.78211171e+00 4.78440533e+00 1.07238926e+00 13 2.13438730e+00 -1.63799725e+00 -7.32136027e+00 14 4.45057203e+00 3.92477612e+00 -4.84225909e+00 15 6.95308202e+00 -1.92040473e+00 -6.87300936e-01 16 -2.10716903e+00 8.77559991e+00 -6.59961069e-01 17 -5.81740293e+00 -4.53392701e+00 1.98390481e-01 18 1.68180667e+00 5.03820659e-01 -5.29383420e-01 19 2.36383462e+00 -5.91260518e+00 3.58787028e+00 20 -4.53291675e+00 2.10374374e+00 5.28772190e+00 21 -2.22323723e+00 -4.54992724e+00 8.40261076e-01 22 5.67891061e+00 1.04095244e+00 5.70116811e-01 23 2.61351553e+00 -1.90940955e+00 4.18526096e+00 24 9.64957451e-01 -8.50099041e-01 4.75955568e+00 25 -6.20728830e+00 -1.12678257e+00 -7.12275618e-01 26 5.08466649e-01 7.22826243e+00 -1.14052948e+00 27 -1.09941210e+00 -1.37663672e+00 6.09639030e+00 28 -4.54191307e+00 3.00072982e+00 3.47791240e+00 29 3.69225285e-01 -3.17289609e+00 1.97508215e+00 30 5.34551105e+00 5.09109470e+00 1.76372007e+00 31 4.76341606e+00 -9.09560949e-01 4.24298153e+00 32 1.69632920e+00 4.59202666e+00 5.07738422e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==54929== Memcheck, a memory error detector ==54929== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==54929== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==54929== Command: python runner2.py EAM_Dynamo_MishinFarkasMehl_1999_Al__MO_651801486679_005 ==54929== ==55806== Warning: invalid file descriptor 1048564 in syscall close() ==55806== Warning: invalid file descriptor 1048565 in syscall close() ==55806== Warning: invalid file descriptor 1048566 in syscall close() ==55806== Warning: invalid file descriptor 1048567 in syscall close() ==55806== Use --log-fd= to select an alternative log fd. ==55806== Warning: invalid file descriptor 1048568 in syscall close() ==55806== Warning: invalid file descriptor 1048569 in syscall close() ==55809== Warning: invalid file descriptor 1048564 in syscall close() ==55809== Warning: invalid file descriptor 1048565 in syscall close() ==55809== Warning: invalid file descriptor 1048566 in syscall close() ==55809== Warning: invalid file descriptor 1048567 in syscall close() ==55809== Use --log-fd= to select an alternative log fd. ==55809== Warning: invalid file descriptor 1048568 in syscall close() ==55809== Warning: invalid file descriptor 1048569 in syscall close() ==55956== Warning: invalid file descriptor 1048564 in syscall close() ==55956== Warning: invalid file descriptor 1048565 in syscall close() ==55956== Warning: invalid file descriptor 1048566 in syscall close() ==55956== Warning: invalid file descriptor 1048567 in syscall close() ==55956== Use --log-fd= to select an alternative log fd. ==55956== Warning: invalid file descriptor 1048568 in syscall close() ==55956== Warning: invalid file descriptor 1048569 in syscall close() ==55961== Warning: invalid file descriptor 1048564 in syscall close() ==55961== Warning: invalid file descriptor 1048565 in syscall close() ==55961== Warning: invalid file descriptor 1048566 in syscall close() ==55961== Warning: invalid file descriptor 1048567 in syscall close() ==55961== Use --log-fd= to select an alternative log fd. ==55961== Warning: invalid file descriptor 1048568 in syscall close() ==55961== Warning: invalid file descriptor 1048569 in syscall close() ==55968== Warning: invalid file descriptor 1048564 in syscall close() ==55968== Warning: invalid file descriptor 1048565 in syscall close() ==55968== Warning: invalid file descriptor 1048566 in syscall close() ==55968== Warning: invalid file descriptor 1048567 in syscall close() ==55968== Use --log-fd= to select an alternative log fd. ==55968== Warning: invalid file descriptor 1048568 in syscall close() ==55968== Warning: invalid file descriptor 1048569 in syscall close() ==55973== Warning: invalid file descriptor 1048564 in syscall close() ==55973== Warning: invalid file descriptor 1048565 in syscall close() ==55973== Warning: invalid file descriptor 1048566 in syscall close() ==55973== Warning: invalid file descriptor 1048567 in syscall close() ==55973== Use --log-fd= to select an alternative log fd. ==55973== Warning: invalid file descriptor 1048568 in syscall close() ==55973== Warning: invalid file descriptor 1048569 in syscall close() ==54929== ==54929== HEAP SUMMARY: ==54929== in use at exit: 1,718,292 bytes in 1,321 blocks ==54929== total heap usage: 31,120 allocs, 29,799 frees, 47,288,581 bytes allocated ==54929== ==54929== LEAK SUMMARY: ==54929== definitely lost: 0 bytes in 0 blocks ==54929== indirectly lost: 0 bytes in 0 blocks ==54929== possibly lost: 178,943 bytes in 97 blocks ==54929== still reachable: 1,539,349 bytes in 1,224 blocks ==54929== suppressed: 0 bytes in 0 blocks ==54929== Rerun with --leak-check=full to see details of leaked memory ==54929== ==54929== For counts of detected and suppressed errors, rerun with: -v ==54929== 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.