!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_ZhouWadleyJohnson_2001NISTretabulation_Pb__MO_988703794028_000 Supported species : Pb random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Pb (Configuration in file "config-F-Pb.xyz") ----------------------------------------------------------------------------------------------------- Energy = 680.018025595 Forces: 1 -1.98883436e+01 -4.50162172e+01 -3.78430908e+01 2 -1.45779030e+01 4.40939523e+00 -4.75844778e+01 3 6.59144288e+00 -5.06674719e+01 -1.60598485e+01 4 -3.72435820e+01 2.55216638e+01 2.29399978e+01 5 8.80989401e+00 -5.28602797e+01 -2.60046860e+01 6 3.13106514e+01 4.14072753e+00 -3.73184801e+01 7 3.30887659e+01 -7.34797026e+01 -4.60541343e+01 8 -2.16363399e+01 -3.43114918e+01 4.87130991e+00 9 -4.61999688e+01 1.36226267e+00 -5.37701945e+01 10 -2.41739118e+01 7.75539859e+01 -6.06181942e+01 11 -4.68982115e+01 -3.49331109e+01 3.57537917e+01 12 -3.55759834e+01 3.77122959e+01 -6.22961188e+00 13 3.73530398e+01 -1.87857614e+01 -1.09327867e+02 14 2.55383569e+01 2.56667219e+01 -2.34973314e+01 15 8.64028844e+01 3.47366953e+00 5.66089057e+00 16 2.35365792e+01 9.07340924e+01 2.92210164e+01 17 -4.72772892e+01 -2.32095201e+01 -7.89641048e-03 18 -2.90957615e+00 2.01892269e+01 1.46550031e+01 19 6.64482730e+00 -3.78286978e+01 2.87466378e+01 20 -2.54984176e+01 1.22098053e+01 2.56201264e+01 21 -2.22511679e+01 -4.44900194e+01 1.91244489e+01 22 5.94361806e+01 4.41779334e+01 4.15827203e+01 23 2.30914333e+01 -1.39081698e+01 3.02445118e+01 24 1.95259645e+00 6.13661534e+00 3.16901797e+01 25 -5.10319892e+01 -3.28619986e+01 -1.53884072e+01 26 -1.92324225e+01 8.26117985e+01 -1.62434718e+01 27 2.06653624e+01 -6.43966006e+01 6.13614841e+01 28 -6.72057220e+01 6.25427222e+01 3.35401030e+01 29 1.58773798e+01 -4.01589883e+01 1.94475531e+01 30 3.24831833e+01 3.91956055e+01 7.82529121e+00 31 4.14827791e+01 -1.72328247e+01 3.05809850e+01 32 2.73354716e+01 4.65023330e+01 5.30816408e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Pb (Configuration in file "config-T-Pb.xyz") ----------------------------------------------------------------------------------------------------- Energy = 1421.0590316 Forces: 1 4.97365432e+01 -6.01253043e+01 8.89284187e+00 2 -4.71862015e+01 1.05288347e+01 3.00572333e+01 3 9.01332583e+00 7.88440309e+00 -1.18093724e+01 4 3.38856254e+01 4.37001579e+01 3.65008580e+01 5 1.91826377e+01 -1.03291137e+01 -4.13610695e+00 6 -5.95541994e+01 6.21787362e+01 1.22171149e+01 7 -1.16438113e+01 -4.96303916e+01 -4.42810962e+01 8 -2.90866649e+01 -3.10708319e+01 1.16622999e+01 9 -5.55561510e+01 -3.40701805e+01 2.93589004e+01 10 -3.50253602e+01 4.25438880e+01 -2.07374540e+01 11 -4.37855790e+01 -4.06852784e+01 4.61965877e+01 12 1.14641739e+01 -7.62182463e-01 -1.71396930e+01 13 3.95723169e+01 -3.03839151e+01 -7.27631738e+01 14 -1.06348633e+01 -1.53488267e-01 -1.81510128e+01 15 5.40390664e+01 1.62954635e+00 1.04292743e+01 16 2.67828591e+01 5.01930855e+01 3.61428329e+01 17 2.59145930e+01 -2.20305024e+01 5.74310659e+00 18 2.90480675e+00 2.65440192e+01 1.20223843e+01 19 1.12457028e+01 1.37865115e+01 1.03832266e+01 20 4.47970909e+01 6.21714912e+01 -2.47936150e+01 21 -2.76260225e+01 -2.66417114e+00 1.92210567e+01 22 -3.64338620e+00 8.27831852e+01 4.14708762e+01 23 -4.64302880e+01 -6.58247021e+01 -3.76080150e+01 24 3.60284639e+01 2.07055486e+01 -5.44616809e+01 25 -1.57380884e+01 -4.62897894e+01 -1.81144079e+01 26 -1.22688617e+01 2.89351011e+01 -2.52767603e+01 27 4.80416001e+01 -7.45862579e+01 -1.43038118e+01 28 -6.44630377e+01 5.71326251e+01 -6.79809785e+00 29 1.45798951e+01 -4.56283376e+01 1.68688515e+01 30 -2.09195733e+01 1.35239238e+00 2.34059610e+01 31 1.55373949e+01 -2.47903150e+01 1.26641179e+01 32 4.08359926e+01 2.69552358e+01 7.13677383e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==10011== Memcheck, a memory error detector ==10011== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==10011== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==10011== Command: python runner2.py EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Pb__MO_988703794028_000 ==10011== ==10011== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==10011== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==10011== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==10011== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==10011== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==10011== by 0x4010732: call_init (dl-init.c:72) ==10011== by 0x4010732: _dl_init (dl-init.c:119) ==10011== by 0x40151FE: dl_open_worker (dl-open.c:522) ==10011== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==10011== by 0x40147C9: _dl_open (dl-open.c:605) ==10011== by 0x544CF95: dlopen_doit (dlopen.c:66) ==10011== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==10011== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==10011== by 0x544D734: _dlerror_run (dlerror.c:162) ==10011== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==10011== ==10011== ==10011== HEAP SUMMARY: ==10011== in use at exit: 6,029,445 bytes in 3,961 blocks ==10011== total heap usage: 118,831 allocs, 114,870 frees, 59,854,131 bytes allocated ==10011== ==10011== LEAK SUMMARY: ==10011== definitely lost: 0 bytes in 0 blocks ==10011== indirectly lost: 0 bytes in 0 blocks ==10011== possibly lost: 182,191 bytes in 111 blocks ==10011== still reachable: 5,847,254 bytes in 3,850 blocks ==10011== suppressed: 0 bytes in 0 blocks ==10011== Rerun with --leak-check=full to see details of leaked memory ==10011== ==10011== For counts of detected and suppressed errors, rerun with: -v ==10011== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 2510 from 177) ================================================================================ 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.