!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : Morse_Shifted_GirifalcoWeizer_1959LowCutoff_W__MO_489351836217_002 Supported species : W random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = W (Configuration in file "config-F-W.xyz") ----------------------------------------------------------------------------------------------------- Energy = 796.817552931 Forces: 1 -2.70736130e+01 -5.03499965e+01 -5.40875227e+01 2 -2.30258511e+01 3.47695573e+01 -4.75473592e+01 3 3.47538918e+01 -8.86277710e+01 -3.83895902e+01 4 -6.36837862e+01 3.52692190e+01 4.00416560e+00 5 -7.02350458e+00 -8.28194739e+01 -2.52422560e+01 6 5.15913981e+01 3.15999339e+01 -5.57926503e+01 7 4.87121276e+01 -1.47547512e+02 -1.03837211e+02 8 -7.41830905e+01 -5.56113961e+01 -8.80005969e+00 9 -5.26667662e+01 -4.06956850e+01 -9.09274926e+01 10 -2.30290269e+01 1.00279169e+02 -1.05153049e+02 11 -1.94734169e+01 -7.06008416e+01 1.69359041e+01 12 -6.32126541e+01 8.66490312e+01 1.19148546e+01 13 -3.17328900e+01 -7.23536609e+01 -2.10716387e+02 14 4.92156970e+01 5.97063929e+01 -4.06787156e+01 15 1.95000382e+02 -2.54300815e+01 4.60882309e+01 16 2.70163555e+01 1.62813463e+02 6.81971977e+01 17 -9.80523141e+01 -6.21053197e+01 -1.49791573e+01 18 5.67525739e+01 7.43138887e+01 4.49093736e+01 19 2.48538330e+01 -7.32468597e+01 4.09223151e+01 20 -3.84460891e+01 4.53401708e+01 4.72754281e+01 21 -6.28721544e+01 -6.42257643e+01 4.06823072e+01 22 1.10839440e+02 1.16206818e+02 7.95295620e+01 23 2.86666458e+01 -1.67477262e+01 6.08818171e+01 24 1.44859772e+01 3.35486530e+01 3.08057508e+01 25 -7.44071661e+01 -3.14227869e+01 4.76935903e+01 26 -3.15054012e+01 1.09828297e+02 -4.68191735e+01 27 5.09731289e+01 -1.60798739e+02 6.44364624e+01 28 -1.37354042e+02 1.13612961e+02 3.08517317e+01 29 -4.19915345e+01 -6.36633763e+01 4.62597886e+01 30 5.37548020e+01 8.18945375e+01 -6.86556775e+00 31 7.87249634e+01 -5.98472577e+01 7.93895314e+01 32 4.43920839e+01 8.02621572e+01 8.90581801e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = W (Configuration in file "config-T-W.xyz") ----------------------------------------------------------------------------------------------------- Energy = 1198.37837024 Forces: 1 1.49770325e+02 -1.10915754e+02 3.31298585e+01 2 -1.49893022e+02 3.88612165e+01 1.76158302e+02 3 2.90272438e+01 -6.56367080e+00 -3.01472203e+01 4 4.58252972e+01 6.74796249e+01 -3.45726339e+01 5 2.12751605e+01 -2.42413451e+01 -4.74251149e-01 6 -1.60217789e+02 1.86918047e+02 2.00949459e+02 7 -1.45250219e+01 -1.35661885e+02 -1.02652138e+02 8 -7.44236802e+01 -5.80211856e+01 -1.04500802e+01 9 -9.41500308e+01 -1.11416763e+02 7.31460685e+01 10 -5.24257209e+01 5.43246500e+01 -4.37817875e+01 11 -2.27165210e+01 -6.88048089e+01 1.54596402e+01 12 1.60517007e+01 3.48364007e+01 4.51657127e+01 13 -2.40019491e+01 -8.38398248e+01 -1.66772615e+02 14 -4.34442303e+01 2.76574461e+01 -6.89748129e+01 15 1.48438285e+02 -2.39590471e+01 4.31435798e+01 16 3.57952672e+01 1.13279112e+02 7.28612341e+01 17 3.32235817e+01 -1.01588861e+02 -1.04741104e+01 18 6.12759637e+01 7.13528741e+01 4.57641164e+01 19 2.52859137e+01 9.75649784e+00 2.73244118e+01 20 1.89311004e+02 1.84551615e+02 -2.98653568e+01 21 -6.48165744e+01 -8.32377495e+00 4.43723245e+01 22 -2.25782460e+01 1.75643734e+02 1.03386645e+02 23 -1.82505199e+02 -1.90541435e+02 -2.17025821e+02 24 1.46471227e+02 5.37981003e+01 -1.93143671e+02 25 -2.87649917e+01 -4.49450068e+01 4.67970460e+01 26 -2.41788143e+01 2.87264073e+01 -5.81360363e+01 27 1.09751519e+02 -1.66302109e+02 -6.20150215e+01 28 -1.40193304e+02 1.23793546e+02 -3.78000262e+01 29 -3.89697042e+01 -6.13264466e+01 4.91159385e+01 30 -3.54821223e-01 3.31719176e+01 7.85763078e+00 31 5.71707690e+01 -6.73380453e+01 5.84581703e+01 32 6.94863628e+01 5.96387733e+01 2.31954441e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==22390== Memcheck, a memory error detector ==22390== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==22390== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==22390== Command: python runner2.py Morse_Shifted_GirifalcoWeizer_1959LowCutoff_W__MO_489351836217_002 ==22390== ==22390== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==22390== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==22390== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==22390== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==22390== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==22390== by 0x4010732: call_init (dl-init.c:72) ==22390== by 0x4010732: _dl_init (dl-init.c:119) ==22390== by 0x40151FE: dl_open_worker (dl-open.c:522) ==22390== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==22390== by 0x40147C9: _dl_open (dl-open.c:605) ==22390== by 0x544CF95: dlopen_doit (dlopen.c:66) ==22390== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==22390== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==22390== by 0x544D734: _dlerror_run (dlerror.c:162) ==22390== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==22390== ==22390== ==22390== HEAP SUMMARY: ==22390== in use at exit: 4,528,372 bytes in 3,908 blocks ==22390== total heap usage: 116,501 allocs, 112,593 frees, 58,156,568 bytes allocated ==22390== ==22390== LEAK SUMMARY: ==22390== definitely lost: 0 bytes in 0 blocks ==22390== indirectly lost: 0 bytes in 0 blocks ==22390== possibly lost: 182,191 bytes in 111 blocks ==22390== still reachable: 4,346,181 bytes in 3,797 blocks ==22390== suppressed: 0 bytes in 0 blocks ==22390== Rerun with --leak-check=full to see details of leaked memory ==22390== ==22390== For counts of detected and suppressed errors, rerun with: -v ==22390== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 2504 from 174) ================================================================================ 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.