!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : SNAP_ZuoChenLi_2019quadratic_Cu__MO_265210066873_000 Supported species : Cu random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Cu (Configuration in file "config-F-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 1.6210610080684413 Forces: 1 -3.43607426e+00 -1.06322048e+01 -1.47600558e+01 2 -4.55266800e+00 4.42929789e+00 -1.04795380e+01 3 2.86602859e+00 -1.20413089e+01 -2.32918041e+00 4 -6.90671504e+00 1.17616976e+01 9.84581049e+00 5 2.64834258e+00 -1.19661305e+01 -8.79306255e+00 6 5.26436576e+00 3.84848653e+00 -6.64422669e+00 7 1.01686265e+01 -1.37038046e+01 -1.38150540e+01 8 -1.43177656e+01 -8.54034878e+00 1.16778616e-01 9 -1.14006878e+01 -1.36235206e+01 -1.87407008e+01 10 5.64055064e+00 2.33914145e+01 -1.85223414e+01 11 5.88211391e+00 -1.49488586e+01 1.09625654e+01 12 -1.98313172e+01 1.97005467e+01 7.61140671e+00 13 4.82065508e+00 -1.01771022e+01 -3.23164360e+01 14 3.91561035e+00 5.98089076e+00 -4.84024311e+00 15 2.95421322e+01 -4.14711515e+00 -2.97961680e-01 16 7.75718110e+00 2.72510105e+01 5.18175977e+00 17 -1.02874320e+01 -6.02652782e+00 -1.99965075e+00 18 -5.84623778e+00 1.03479798e+01 5.81227778e+00 19 2.96791660e+00 -9.27690842e+00 6.23101235e+00 20 -3.60736358e+00 6.98367624e+00 6.05327462e+00 21 -9.16198437e+00 -1.19664732e+01 8.36198529e+00 22 2.20597742e+01 1.45263570e+01 1.29876159e+01 23 3.86887750e+00 -1.69139981e+00 6.60709283e+00 24 3.18290836e+00 -5.67979198e-01 4.84455731e+00 25 -1.16995778e+01 -9.38688799e+00 1.24672434e+01 26 -2.87285326e+00 1.55750216e+01 -1.02301204e+01 27 7.52396473e-01 -2.29604419e+01 9.09812607e+00 28 -1.92491150e+01 1.32660212e+01 6.60261842e+00 29 -1.87405025e+01 -1.80175241e+01 8.97548031e+00 30 9.76804082e+00 1.43273186e+01 -4.08463923e+00 31 1.49853262e+01 -1.09112656e+01 9.19900663e+00 32 5.81944716e+00 1.91960834e+01 1.68945991e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Cu (Configuration in file "config-T-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 1.6210610080684413 Forces: 1 -3.43607426e+00 -1.06322048e+01 -1.47600558e+01 2 -4.55266800e+00 4.42929789e+00 -1.04795380e+01 3 2.86602859e+00 -1.20413089e+01 -2.32918041e+00 4 -6.90671504e+00 1.17616976e+01 9.84581049e+00 5 2.64834258e+00 -1.19661305e+01 -8.79306255e+00 6 5.26436576e+00 3.84848653e+00 -6.64422669e+00 7 1.01686265e+01 -1.37038046e+01 -1.38150540e+01 8 -1.43177656e+01 -8.54034878e+00 1.16778616e-01 9 -1.14006878e+01 -1.36235206e+01 -1.87407008e+01 10 5.64055064e+00 2.33914145e+01 -1.85223414e+01 11 5.88211391e+00 -1.49488586e+01 1.09625654e+01 12 -1.98313172e+01 1.97005467e+01 7.61140671e+00 13 4.82065508e+00 -1.01771022e+01 -3.23164360e+01 14 3.91561035e+00 5.98089076e+00 -4.84024311e+00 15 2.95421322e+01 -4.14711515e+00 -2.97961680e-01 16 7.75718110e+00 2.72510105e+01 5.18175977e+00 17 -1.02874320e+01 -6.02652782e+00 -1.99965075e+00 18 -5.84623778e+00 1.03479798e+01 5.81227778e+00 19 2.96791660e+00 -9.27690842e+00 6.23101235e+00 20 -3.60736358e+00 6.98367624e+00 6.05327462e+00 21 -9.16198437e+00 -1.19664732e+01 8.36198529e+00 22 2.20597742e+01 1.45263570e+01 1.29876159e+01 23 3.86887750e+00 -1.69139981e+00 6.60709283e+00 24 3.18290836e+00 -5.67979198e-01 4.84455731e+00 25 -1.16995778e+01 -9.38688799e+00 1.24672434e+01 26 -2.87285326e+00 1.55750216e+01 -1.02301204e+01 27 7.52396473e-01 -2.29604419e+01 9.09812607e+00 28 -1.92491150e+01 1.32660212e+01 6.60261842e+00 29 -1.87405025e+01 -1.80175241e+01 8.97548031e+00 30 9.76804082e+00 1.43273186e+01 -4.08463923e+00 31 1.49853262e+01 -1.09112656e+01 9.19900663e+00 32 5.81944716e+00 1.91960834e+01 1.68945991e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==2449751== Memcheck, a memory error detector ==2449751== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==2449751== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==2449751== Command: python runner2.py SNAP_ZuoChenLi_2019quadratic_Cu__MO_265210066873_000 ==2449751== ==2450539== Warning: invalid file descriptor 1024 in syscall close() ==2450539== Warning: invalid file descriptor 1025 in syscall close() ==2450539== Warning: invalid file descriptor 1026 in syscall close() ==2450539== Warning: invalid file descriptor 1027 in syscall close() ==2450539== Use --log-fd= to select an alternative log fd. ==2450539== Warning: invalid file descriptor 1028 in syscall close() ==2450539== Warning: invalid file descriptor 1029 in syscall close() ==2449751== ==2449751== HEAP SUMMARY: ==2449751== in use at exit: 2,257,559 bytes in 1,700 blocks ==2449751== total heap usage: 46,706 allocs, 45,006 frees, 59,553,428 bytes allocated ==2449751== ==2449751== LEAK SUMMARY: ==2449751== definitely lost: 0 bytes in 0 blocks ==2449751== indirectly lost: 0 bytes in 0 blocks ==2449751== possibly lost: 180,827 bytes in 103 blocks ==2449751== still reachable: 2,076,700 bytes in 1,596 blocks ==2449751== of which reachable via heuristic: ==2449751== stdstring : 38 bytes in 1 blocks ==2449751== suppressed: 32 bytes in 1 blocks ==2449751== Rerun with --leak-check=full to see details of leaked memory ==2449751== ==2449751== For lists of detected and suppressed errors, rerun with: -s ==2449751== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 7737 from 537) ================================================================================ 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.