Model Extended KIM ID = === Verification check vc-memory-leak start (2018-12-15 06:24:08) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_Al__MO_411898953661_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 = 201.923939559 Forces: 1 -6.93890765e+00 -1.08087086e+01 -1.18077800e+01 2 -3.87906462e+00 4.69425739e+00 -1.27744029e+01 3 6.52730193e+00 -9.87754013e+00 -1.66166792e+00 4 -1.06340457e+01 5.85314903e+00 4.62472095e+00 5 -1.92714100e+00 -1.80881597e+01 -6.97892621e+00 6 1.21620690e+01 6.05201587e+00 -1.33159712e+01 7 1.16174399e+01 -2.80714256e+01 -1.70252971e+01 8 -1.66215614e+01 -1.07845975e+01 2.68196190e-01 9 -1.59605943e+01 -8.68928671e+00 -2.28067703e+01 10 6.06223393e-01 2.50409565e+01 -2.15519444e+01 11 -4.57028715e+00 -1.82689782e+01 1.14634328e+01 12 -1.64367954e+01 1.87992854e+01 4.07851359e+00 13 -2.52542952e+00 -1.19998111e+01 -4.17533231e+01 14 1.14210005e+01 1.31667212e+01 -9.69777340e+00 15 3.82242961e+01 -5.36470795e+00 6.33670092e+00 16 2.85764899e+00 3.35255287e+01 1.02890836e+01 17 -2.25722279e+01 -1.54822967e+01 -6.52053139e+00 18 1.29816207e+01 1.89054450e+01 -1.80071473e+01 19 6.57731313e+00 -2.59305425e+01 1.51490617e+01 20 -1.83528091e+01 9.09460700e+00 1.95181308e+01 21 -1.27317754e+01 -1.45209665e+01 6.24232173e+00 22 2.34081403e+01 1.97182130e+01 1.65908782e+01 23 6.96103699e+00 -3.54936944e+00 1.15495811e+01 24 8.74615551e+00 6.56151202e+00 1.24561481e+01 25 -1.41265275e+01 -7.32239724e+00 5.99071726e+00 26 -5.98164600e+00 2.35555898e+01 -9.24620078e+00 27 7.12328937e+00 -2.66710983e+01 1.58904461e+01 28 -2.60353848e+01 2.08453228e+01 7.61589661e+00 29 -8.99086154e+00 -1.36071164e+01 8.65812135e+00 30 1.33529325e+01 1.82206583e+01 -5.97002740e-01 31 1.69565319e+01 -1.21115186e+01 1.73675137e+01 32 8.76205875e+00 1.71152592e+01 1.96552742e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Al (Configuration in file "config-T-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 225.750921025 Forces: 1 2.62366441e+01 -1.68230550e+01 7.14216821e+00 2 -2.25487910e+01 5.88197421e+00 2.85075425e+01 3 5.56970599e+00 9.97767426e+00 5.47179616e-01 4 1.40264480e+01 1.24642980e+01 -2.51857872e+00 5 2.19287995e+00 -5.50816016e+00 -9.81542883e-02 6 -2.54925548e+01 3.36262075e+01 1.45233645e+01 7 -3.50541081e+00 -2.33579216e+01 -1.62657883e+01 8 -1.71418702e+01 -1.12209916e+01 1.26175379e-01 9 -2.15145459e+01 -2.21220513e+01 8.89653031e+00 10 -2.62945968e+00 1.50820434e+01 -7.31491356e+00 11 -5.22189741e+00 -1.82490536e+01 1.21821346e+01 12 7.54719014e-01 6.30508288e+00 9.76239114e+00 13 -7.38547617e-01 -1.45740173e+01 -3.06678414e+01 14 -7.82290949e+00 3.35203755e+00 -1.19385859e+01 15 2.62093198e+01 -5.07178458e+00 5.89999459e+00 16 4.59109460e+00 2.08497467e+01 1.12815476e+01 17 5.62930697e+00 -1.89961837e+01 -7.37619808e+00 18 1.46202419e+01 1.86940562e+01 -1.83978895e+01 19 7.08530225e+00 -7.03310426e+00 9.61091236e+00 20 7.95791127e+00 2.90420054e+01 2.68642820e+00 21 -1.33245890e+01 -2.57251980e-01 6.93649739e+00 22 -4.55442912e+00 3.05711898e+01 2.03146282e+01 23 -2.14177590e+01 -2.64816406e+01 -2.02060674e+01 24 2.91352450e+01 1.07311993e+01 -2.77161723e+01 25 -2.39187422e+00 -1.03528412e+01 5.71989038e+00 26 -4.11473948e+00 4.73264670e+00 -1.12977936e+01 27 1.74635402e+01 -2.85091146e+01 -1.09523853e+01 28 -2.45785792e+01 1.86222682e+01 -7.23648526e+00 29 -8.31481159e+00 -1.33037445e+01 9.40479170e+00 30 3.42382634e-01 5.09278814e+00 1.73423224e+00 31 1.04555541e+01 -1.39853413e+01 1.12615151e+01 32 1.30424725e+01 1.08210392e+01 5.44892945e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==18410== Memcheck, a memory error detector ==18410== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==18410== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==18410== Command: python runner2.py Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Al__MO_411898953661_002 ==18410== ==18410== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==18410== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==18410== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==18410== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==18410== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==18410== by 0x4010732: call_init (dl-init.c:72) ==18410== by 0x4010732: _dl_init (dl-init.c:119) ==18410== by 0x40151FE: dl_open_worker (dl-open.c:522) ==18410== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==18410== by 0x40147C9: _dl_open (dl-open.c:605) ==18410== by 0x544CF95: dlopen_doit (dlopen.c:66) ==18410== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==18410== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==18410== by 0x544D734: _dlerror_run (dlerror.c:162) ==18410== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==18410== ==18410== ==18410== HEAP SUMMARY: ==18410== in use at exit: 4,597,034 bytes in 3,908 blocks ==18410== total heap usage: 119,207 allocs, 115,299 frees, 58,503,133 bytes allocated ==18410== ==18410== LEAK SUMMARY: ==18410== definitely lost: 0 bytes in 0 blocks ==18410== indirectly lost: 0 bytes in 0 blocks ==18410== possibly lost: 182,191 bytes in 111 blocks ==18410== still reachable: 4,414,843 bytes in 3,797 blocks ==18410== suppressed: 0 bytes in 0 blocks ==18410== Rerun with --leak-check=full to see details of leaked memory ==18410== ==18410== For counts of detected and suppressed errors, rerun with: -v ==18410== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 2503 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. === Verification check vc-memory-leak end (2018-12-15 06:24:32) ===