!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : SW_BalamaneHaliciogluTiller_1992_Si__MO_113686039439_004 Supported species : Si random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Si (Configuration in file "config-F-Si.xyz") ----------------------------------------------------------------------------------------------------- Energy = 569.628409119 Forces: 1 -2.18824580e+01 -3.11683675e+01 -2.81089451e+01 2 -8.58578634e+00 -1.17552000e+01 -6.62197112e+01 3 -1.09328505e+01 -6.13562219e+01 -1.39573409e+01 4 -6.03996542e+01 -1.79127302e+00 -5.43306624e-01 5 6.12435521e+00 -4.55688213e+01 -3.43277970e+01 6 3.74194927e+01 -9.85130622e+00 -4.24143973e+01 7 3.80289373e+01 -6.42381682e+01 -3.00744431e+01 8 1.01368960e+00 -3.80302570e+01 -1.52874279e+00 9 -3.21556483e+01 1.40380136e+01 -5.07127868e+01 10 -2.08798294e+01 4.93764770e+01 -5.45608436e+01 11 -4.51002457e+01 -1.38522086e+00 -1.80711118e+01 12 -4.76352083e+01 4.41367289e+01 -1.43784099e+01 13 3.15198207e+00 1.00898565e+01 -1.07266370e+02 14 2.78375891e+01 2.34691564e+01 -2.46554428e+01 15 1.09330592e+02 9.09492569e+00 -1.50204389e-01 16 2.01682543e+01 9.60861397e+01 -1.68928499e+01 17 -3.93335138e+01 -2.38962367e+01 7.72868631e+00 18 -1.85627989e+01 -8.33241304e+00 2.35855526e+01 19 -3.34402928e-01 -2.72047067e+01 3.67481609e+01 20 -2.26397224e+01 3.37032148e+00 2.37552414e+01 21 5.47265092e+00 -5.64491722e+01 2.29266602e+01 22 6.77118077e+01 6.87068170e+00 2.82997253e+01 23 2.08269100e+01 -1.36727180e+01 2.63343852e+01 24 2.63172876e+00 -1.06902078e+01 5.55644156e+01 25 -7.43083368e+01 -1.23564094e+01 2.60411481e+01 26 -2.04544848e+01 7.91448953e+01 1.21116123e+01 27 -1.22450810e+01 -3.21717885e+01 6.05508046e+01 28 -5.11261098e+01 3.41090373e+01 2.62245206e+01 29 2.30040490e+01 3.06898982e+00 4.16499855e+01 30 5.15620933e+01 3.98771136e+01 5.88148854e+00 31 5.46256405e+01 -5.39134968e+00 4.86196018e+01 32 1.76663584e+01 4.25775013e+01 5.78407147e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Si (Configuration in file "config-T-Si.xyz") ----------------------------------------------------------------------------------------------------- Energy = 1600.47704782 Forces: 1 2.16618729e+01 -3.82042055e+01 -4.43036603e+00 2 -5.37975186e-01 2.55773859e+00 -1.17184182e+01 3 1.43092464e+01 1.96303213e+01 -2.20722616e+01 4 2.73616662e+01 2.50820313e+01 2.59523015e+01 5 -1.17352276e+01 -4.54073403e+00 2.62753478e+00 6 -1.76974432e+01 2.33548083e+01 -7.53941461e+00 7 -2.74097592e+01 -2.25721730e+01 -9.83847119e+00 8 -2.36705007e+01 -3.14579112e+01 2.39567608e+01 9 -1.22463392e+01 4.89737227e+00 -6.21551530e+00 10 -6.10413445e+00 1.23319997e+01 -3.02496003e+00 11 -3.44754340e+01 -2.56166809e+01 3.20635477e+00 12 -1.11613074e+01 -3.30018708e+00 -1.23717846e+01 13 -5.93541645e+00 5.73088579e+00 -5.55083862e+01 14 1.62947654e+00 -2.65168897e+01 -1.97762328e+01 15 5.33673118e+01 1.28618107e+01 1.49591295e+01 16 1.38143080e+01 3.87722102e+01 -7.48324190e+00 17 1.82856047e+01 8.56225988e+00 8.41228457e+00 18 3.63193183e+00 1.22940145e+01 4.38087762e+00 19 1.85357662e+01 3.31449420e+01 5.81132725e+00 20 5.99912323e+01 4.22742551e+01 -2.88770720e+01 21 -1.62913415e+01 1.54555970e+01 1.21239493e+01 22 -5.25562354e+00 5.54310194e+01 3.69513291e+01 23 -4.86902558e+01 -3.56693832e+01 -2.41542504e+01 24 -7.32803485e+00 5.05879480e-01 -1.64597954e+01 25 -2.40381836e+01 -4.06949022e+01 2.12579601e+01 26 2.23253790e+00 2.31046879e+00 1.74042346e+00 27 -2.04890403e+00 -3.67295118e+01 -1.24832186e+01 28 -4.59858156e+01 -1.22985370e+01 1.17303415e+01 29 1.25370460e+01 -1.69144372e+01 3.70612821e+01 30 4.83800259e+00 -2.13047020e+01 1.20087428e+01 31 1.53764878e+01 -8.98876800e+00 1.27906775e+01 32 3.30392052e+01 9.61140859e+00 6.98211192e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==2372== Memcheck, a memory error detector ==2372== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==2372== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==2372== Command: python runner2.py SW_BalamaneHaliciogluTiller_1992_Si__MO_113686039439_004 ==2372== ==2372== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==2372== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==2372== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==2372== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==2372== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==2372== by 0x4010732: call_init (dl-init.c:72) ==2372== by 0x4010732: _dl_init (dl-init.c:119) ==2372== by 0x40151FE: dl_open_worker (dl-open.c:522) ==2372== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==2372== by 0x40147C9: _dl_open (dl-open.c:605) ==2372== by 0x544CF95: dlopen_doit (dlopen.c:66) ==2372== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==2372== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==2372== by 0x544D734: _dlerror_run (dlerror.c:162) ==2372== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==2372== ==2372== ==2372== HEAP SUMMARY: ==2372== in use at exit: 4,440,949 bytes in 3,981 blocks ==2372== total heap usage: 112,716 allocs, 108,735 frees, 57,608,868 bytes allocated ==2372== ==2372== LEAK SUMMARY: ==2372== definitely lost: 0 bytes in 0 blocks ==2372== indirectly lost: 0 bytes in 0 blocks ==2372== possibly lost: 182,191 bytes in 111 blocks ==2372== still reachable: 4,258,758 bytes in 3,870 blocks ==2372== suppressed: 0 bytes in 0 blocks ==2372== Rerun with --leak-check=full to see details of leaked memory ==2372== ==2372== For counts of detected and suppressed errors, rerun with: -v ==2372== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 2509 from 172) ================================================================================ 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.