!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_ErcolessiAdams_1994_Al__MO_324507536345_002 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 = 97.5581544117 Forces: 1 -5.83719474e+00 -8.83756960e+00 -9.65666531e+00 2 -5.20442260e+00 2.82321534e+00 -1.18907779e+01 3 5.74196546e+00 -1.28557753e+01 -3.73801757e+00 4 -1.19301060e+01 3.66323148e+00 3.56113043e-01 5 3.98960605e-01 -1.58176953e+01 -7.55452201e+00 6 9.91401793e+00 2.01166640e+00 -1.18099340e+01 7 1.04918008e+01 -1.89897114e+01 -1.02904071e+01 8 -7.64080967e+00 -8.34745034e+00 6.33257081e+00 9 -1.09022724e+01 -6.67913677e+00 -1.71388508e+01 10 -7.36522749e-01 2.07736964e+01 -1.33711820e+01 11 -3.83794513e+00 -8.53959940e+00 5.40905991e+00 12 -1.30936125e+01 1.70719759e+01 1.79079968e+00 13 -1.57721421e+00 -6.73923523e+00 -3.09558945e+01 14 1.06506987e+01 1.29914658e+01 -1.17956110e+01 15 2.91923294e+01 -1.03024870e+01 4.89729784e+00 16 -4.04568523e+00 2.78217387e+01 8.17133447e+00 17 -1.83570808e+01 -1.18460000e+01 -3.26176067e+00 18 9.28123817e+00 1.02572299e+01 1.34315186e+00 19 6.23791351e+00 -1.39319359e+01 1.06783594e+01 20 -8.89933168e+00 8.37996818e+00 1.07733769e+01 21 -1.06198923e+01 -1.10674862e+01 4.52235984e+00 22 1.59703229e+01 1.51193262e+01 8.35286829e+00 23 5.52123918e+00 -2.92495658e+00 9.79216917e+00 24 2.24321688e+00 5.85976647e-01 7.28067846e+00 25 -1.37937780e+01 -3.99261001e+00 1.07877665e+01 26 -3.43225822e+00 1.93517171e+01 -9.31620241e+00 27 1.13712644e+00 -1.90828957e+01 1.15546331e+01 28 -1.76383953e+01 1.31688184e+01 5.56534877e+00 29 -3.21524232e+00 -1.26567783e+01 3.67947848e+00 30 1.26100453e+01 1.24349429e+01 1.14111336e+00 31 1.46405820e+01 -8.35577967e+00 1.24700794e+01 32 6.73030659e+00 1.45121333e+01 1.58812660e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Al (Configuration in file "config-T-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 260.261777282 Forces: 1 1.11185243e+01 -7.55075091e+00 3.23613533e+00 2 -1.06833778e+01 1.97384873e+00 8.34643229e+00 3 5.30055141e+00 2.64916359e+00 -1.05105788e+00 4 7.50465587e+00 6.58864796e+00 -2.24328725e+00 5 2.31461542e+00 -3.16578476e+00 -2.96854291e+00 6 -9.68786038e+00 1.46321056e+01 1.13548343e-01 7 -2.11408928e+00 -1.10996464e+01 -8.89403984e+00 8 -7.79466300e+00 -7.48256443e+00 6.29273377e+00 9 -1.08316319e+01 -1.39445122e+01 3.68768796e+00 10 -3.32527321e+00 1.00058513e+01 -1.32710059e+00 11 -4.06847305e+00 -8.28476158e+00 4.51090921e+00 12 8.82613631e-01 6.28362705e+00 4.95338568e+00 13 -7.21362343e-01 -7.62329613e+00 -1.77570497e+01 14 -2.35508639e+00 4.96607894e+00 -1.05930514e+01 15 1.58816520e+01 -8.56963232e+00 3.53941957e+00 16 -3.03965194e+00 1.48456593e+01 8.41532556e+00 17 3.04817674e+00 -1.10107304e+01 -3.10178002e+00 18 1.03005597e+01 9.70348153e+00 1.18732282e+00 19 4.56081225e+00 1.12461641e+00 5.15958120e+00 20 8.57692127e+00 1.76743769e+01 -3.44079365e+00 21 -9.82462005e+00 2.11740037e+00 5.92685457e+00 22 -4.05945942e+00 1.98967774e+01 9.88989481e+00 23 -1.43100978e+01 -1.29930103e+01 -3.56170070e+00 24 9.42207898e+00 4.23114088e+00 -1.37339353e+01 25 -4.27495224e+00 -6.36998888e+00 9.14773690e+00 26 -1.28660147e+00 2.50574672e+00 -9.28126825e+00 27 5.79728280e+00 -1.78344102e+01 -7.90171010e+00 28 -1.37284174e+01 8.83466157e+00 -4.55440502e+00 29 -2.73044930e+00 -1.19919065e+01 3.27961810e+00 30 1.76677351e+00 7.06310621e-01 3.96774953e+00 31 8.50022973e+00 -8.34876489e+00 6.50932976e+00 32 9.86061926e+00 7.53026509e+00 2.24605720e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==11355== Memcheck, a memory error detector ==11355== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==11355== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==11355== Command: python runner2.py EAM_ErcolessiAdams_1994_Al__MO_324507536345_002 ==11355== ==11355== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==11355== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==11355== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==11355== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==11355== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==11355== by 0x4010732: call_init (dl-init.c:72) ==11355== by 0x4010732: _dl_init (dl-init.c:119) ==11355== by 0x40151FE: dl_open_worker (dl-open.c:522) ==11355== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==11355== by 0x40147C9: _dl_open (dl-open.c:605) ==11355== by 0x544CF95: dlopen_doit (dlopen.c:66) ==11355== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==11355== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==11355== by 0x544D734: _dlerror_run (dlerror.c:162) ==11355== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==11355== ==11355== ==11355== HEAP SUMMARY: ==11355== in use at exit: 4,473,541 bytes in 3,878 blocks ==11355== total heap usage: 110,478 allocs, 106,600 frees, 57,133,727 bytes allocated ==11355== ==11355== LEAK SUMMARY: ==11355== definitely lost: 0 bytes in 0 blocks ==11355== indirectly lost: 0 bytes in 0 blocks ==11355== possibly lost: 182,191 bytes in 111 blocks ==11355== still reachable: 4,291,350 bytes in 3,767 blocks ==11355== suppressed: 0 bytes in 0 blocks ==11355== Rerun with --leak-check=full to see details of leaked memory ==11355== ==11355== For counts of detected and suppressed errors, rerun with: -v ==11355== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 2511 from 170) ================================================================================ 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.