!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_1959HighCutoff_W__MO_646516726498_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 = 791.97855569 Forces: 1 -2.70576601e+01 -5.03377077e+01 -5.40749478e+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 5.15873066e+01 3.16030685e+01 -5.57883064e+01 7 4.87121276e+01 -1.47547512e+02 -1.03837211e+02 8 -7.41830905e+01 -5.56113961e+01 -8.80005969e+00 9 -5.26602805e+01 -4.06996149e+01 -9.09205436e+01 10 -2.30290269e+01 1.00279169e+02 -1.05153049e+02 11 -1.94734169e+01 -7.06008416e+01 1.69359041e+01 12 -6.32052403e+01 8.66429339e+01 1.19200521e+01 13 -3.17328900e+01 -7.23536609e+01 -2.10716387e+02 14 4.92016692e+01 5.96921366e+01 -4.06657462e+01 15 1.95000382e+02 -2.54300815e+01 4.60882309e+01 16 2.70163555e+01 1.62813463e+02 6.81971977e+01 17 -9.80472315e+01 -6.21004566e+01 -1.49822674e+01 18 5.67525739e+01 7.43138887e+01 4.49093736e+01 19 2.48581012e+01 -7.32407427e+01 4.09168807e+01 20 -3.84414122e+01 4.53434470e+01 4.72710032e+01 21 -6.28721544e+01 -6.42257643e+01 4.06823072e+01 22 1.10839440e+02 1.16206818e+02 7.95295620e+01 23 2.86527464e+01 -1.67376990e+01 6.08696706e+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 -1.37349951e+02 1.13609826e+02 3.08473878e+01 29 -4.19915345e+01 -6.36633763e+01 4.62597886e+01 30 5.37479846e+01 8.18884153e+01 -6.86959598e+00 31 7.87158279e+01 -5.98534242e+01 7.93809847e+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 = 1157.3346371 Forces: 1 1.49761466e+02 -1.10929140e+02 3.31349834e+01 2 -1.49888204e+02 3.88326696e+01 1.76129834e+02 3 2.90159799e+01 -6.56736614e+00 -3.01406209e+01 4 4.58266790e+01 6.74719331e+01 -3.45892418e+01 5 2.12900545e+01 -2.42147506e+01 -4.29861749e-01 6 -1.60208833e+02 1.86920281e+02 2.00926734e+02 7 -1.45291124e+01 -1.35605961e+02 -1.02639296e+02 8 -7.44235821e+01 -5.80048311e+01 -1.04240365e+01 9 -9.41349015e+01 -1.11355290e+02 7.31405641e+01 10 -5.23722461e+01 5.43250924e+01 -4.37831979e+01 11 -2.27532334e+01 -6.87985077e+01 1.54454280e+01 12 1.60256491e+01 3.48217707e+01 4.51670146e+01 13 -2.40154113e+01 -8.38456295e+01 -1.66791107e+02 14 -4.34090312e+01 2.76317161e+01 -6.89516639e+01 15 1.48405958e+02 -2.39746061e+01 4.31192098e+01 16 3.58054467e+01 1.13252323e+02 7.28520977e+01 17 3.32222465e+01 -1.01551515e+02 -1.04746986e+01 18 6.12866578e+01 7.13564029e+01 4.57323856e+01 19 2.52643028e+01 9.75907405e+00 2.73481925e+01 20 1.89294167e+02 1.84542752e+02 -2.98342571e+01 21 -6.48506513e+01 -8.31583867e+00 4.43777974e+01 22 -2.25914799e+01 1.75604210e+02 1.03376068e+02 23 -1.82509816e+02 -1.90534533e+02 -2.17068496e+02 24 1.46463790e+02 5.37905088e+01 -1.93146217e+02 25 -2.87376445e+01 -4.49384598e+01 4.67699316e+01 26 -2.41613862e+01 2.87403124e+01 -5.81288066e+01 27 1.09771924e+02 -1.66327789e+02 -6.20539869e+01 28 -1.40213138e+02 1.23766206e+02 -3.77958379e+01 29 -3.88997993e+01 -6.13021287e+01 4.91160010e+01 30 -3.23284086e-01 3.31602299e+01 7.90294638e+00 31 5.71420318e+01 -6.72966963e+01 5.84862759e+01 32 6.94454009e+01 5.95875606e+01 2.32258607e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==18211== Memcheck, a memory error detector ==18211== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==18211== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==18211== Command: python runner2.py Morse_Shifted_GirifalcoWeizer_1959HighCutoff_W__MO_646516726498_002 ==18211== ==18211== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==18211== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==18211== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==18211== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==18211== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==18211== by 0x4010732: call_init (dl-init.c:72) ==18211== by 0x4010732: _dl_init (dl-init.c:119) ==18211== by 0x40151FE: dl_open_worker (dl-open.c:522) ==18211== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==18211== by 0x40147C9: _dl_open (dl-open.c:605) ==18211== by 0x544CF95: dlopen_doit (dlopen.c:66) ==18211== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==18211== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==18211== by 0x544D734: _dlerror_run (dlerror.c:162) ==18211== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==18211== ==18211== ==18211== HEAP SUMMARY: ==18211== in use at exit: 4,801,834 bytes in 3,908 blocks ==18211== total heap usage: 127,027 allocs, 123,119 frees, 59,384,505 bytes allocated ==18211== ==18211== LEAK SUMMARY: ==18211== definitely lost: 0 bytes in 0 blocks ==18211== indirectly lost: 0 bytes in 0 blocks ==18211== possibly lost: 182,191 bytes in 111 blocks ==18211== still reachable: 4,619,643 bytes in 3,797 blocks ==18211== suppressed: 0 bytes in 0 blocks ==18211== Rerun with --leak-check=full to see details of leaked memory ==18211== ==18211== For counts of detected and suppressed errors, rerun with: -v ==18211== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 2507 from 173) ================================================================================ 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.