!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_Ackland_1992_Ti__MO_748534961139_005 Supported species : Ti random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Ti (Configuration in file "config-F-Ti.xyz") ----------------------------------------------------------------------------------------------------- Energy = 37.9410981639 Forces: 1 -4.91913681e+00 -8.16013067e+00 -7.36781590e+00 2 -2.16866931e+00 3.02843125e+00 -1.02323331e+01 3 3.00606066e+00 -9.72994981e+00 -1.24730593e+00 4 -9.56059144e+00 2.89299513e+00 2.49343280e+00 5 1.80481425e-01 -1.20318573e+01 -6.21790922e+00 6 8.27975610e+00 1.29377283e+00 -9.54122298e+00 7 7.75523088e+00 -1.28944087e+01 -4.97218449e+00 8 -5.80477855e+00 -5.16086836e+00 2.34023664e+00 9 -6.17915742e+00 -6.22884669e+00 -1.34648422e+01 10 5.16350625e+00 1.22267623e+01 -1.01923672e+01 11 1.24601291e-01 -7.01838563e+00 -1.23618974e+00 12 -1.29507829e+01 1.16889021e+01 3.95612470e+00 13 -2.83945086e+00 -2.29270653e+00 -2.04321349e+01 14 7.20895786e+00 8.26750469e+00 -7.03977845e+00 15 1.95003591e+01 -3.34225683e+00 -6.93093441e-01 16 -1.52165169e+00 1.93447663e+01 1.97752754e+00 17 -1.33416194e+01 -8.21326988e+00 -2.89681489e+00 18 4.84138288e+00 5.17148778e+00 -1.10491774e+00 19 4.59999358e+00 -1.04811258e+01 9.11624200e+00 20 -8.02119896e+00 5.50057374e+00 9.04321475e+00 21 -5.77121098e+00 -9.17370315e+00 3.19269004e+00 22 1.36163805e+01 6.37011963e+00 4.91533851e+00 23 4.46855769e+00 -2.66278747e+00 7.47513979e+00 24 5.67207452e-01 -2.53003783e+00 7.41237927e+00 25 -1.50918142e+01 -1.80140953e+00 5.73603739e+00 26 -3.43752381e-01 1.52614259e+01 -2.88396370e+00 27 -5.05750032e-01 -9.53783881e+00 9.58661947e+00 28 -1.20935385e+01 7.89534465e+00 5.36916163e+00 29 -4.09961473e+00 -6.84211731e+00 4.04252333e+00 30 1.06539649e+01 1.21920449e+01 5.03659659e-01 31 1.17936784e+01 -3.93793743e+00 1.14999997e+01 32 3.45259914e+00 1.09055065e+01 1.08625466e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ti (Configuration in file "config-T-Ti.xyz") ----------------------------------------------------------------------------------------------------- Energy = 159.677066717 Forces: 1 6.86010502e+00 -4.10685915e+00 2.27904807e+00 2 -4.77867269e+00 2.00463029e+00 4.53822259e+00 3 2.44876556e+00 3.92403846e+00 8.66454912e-01 4 6.06378780e+00 6.21995822e+00 3.41097767e+00 5 1.36734672e+00 -3.04362465e+00 -2.08216631e+00 6 -8.15271711e+00 8.93996391e+00 -1.56505520e+00 7 -2.42173710e+00 -6.96756455e+00 -3.52991458e+00 8 -7.04650213e+00 -5.17840757e+00 3.39345322e+00 9 -4.64800286e+00 -1.21055045e+01 8.83714806e-01 10 5.60903222e+00 4.70361503e+00 -3.31721880e-02 11 1.29030969e-01 -7.61468538e+00 -1.18103718e+00 12 -1.83155147e+00 3.22271440e+00 7.78515013e+00 13 -1.46439743e+00 -3.21763038e+00 -9.79916407e+00 14 -5.05382042e+00 2.24991479e+00 -5.88232129e+00 15 9.00109933e+00 -3.31483752e+00 -6.52744825e-02 16 -6.54875181e-01 8.90899760e+00 2.79362657e+00 17 1.71208313e+00 -6.60700972e+00 -3.96181910e+00 18 7.21759230e+00 5.75800293e+00 -1.33235956e+00 19 4.98671141e+00 1.87291218e+00 3.03579489e+00 20 4.57746264e+00 1.25047994e+01 -2.60071119e+00 21 -6.77419507e+00 1.70278168e+00 4.24841828e+00 22 -5.16783812e-01 1.13403162e+01 4.51069989e+00 23 -9.99640465e+00 -7.83171368e+00 -2.69812464e+00 24 4.19555645e+00 8.08396513e-01 -8.33880351e+00 25 -5.79673662e+00 -3.59283008e+00 5.59179011e+00 26 1.38611085e+00 1.90816256e+00 -3.77084427e+00 27 3.23202112e+00 -1.16185036e+01 -4.88911959e+00 28 -1.02239298e+01 3.56972738e+00 -5.00456342e+00 29 -4.43226125e+00 -7.26219444e+00 3.94271052e+00 30 3.00121406e+00 2.40443660e+00 1.52081167e+00 31 6.33539570e+00 -4.82400491e+00 5.72489037e+00 32 5.66927226e+00 5.24200206e+00 2.20868687e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==28856== Memcheck, a memory error detector ==28856== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==28856== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==28856== Command: python runner2.py EAM_Dynamo_Ackland_1992_Ti__MO_748534961139_005 ==28856== ==28856== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==28856== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==28856== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==28856== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==28856== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==28856== by 0x4010732: call_init (dl-init.c:72) ==28856== by 0x4010732: _dl_init (dl-init.c:119) ==28856== by 0x40151FE: dl_open_worker (dl-open.c:522) ==28856== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==28856== by 0x40147C9: _dl_open (dl-open.c:605) ==28856== by 0x544CF95: dlopen_doit (dlopen.c:66) ==28856== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==28856== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==28856== by 0x544D734: _dlerror_run (dlerror.c:162) ==28856== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==28856== ==28856== ==28856== HEAP SUMMARY: ==28856== in use at exit: 9,968,385 bytes in 3,962 blocks ==28856== total heap usage: 114,193 allocs, 110,231 frees, 63,890,762 bytes allocated ==28856== ==28856== LEAK SUMMARY: ==28856== definitely lost: 0 bytes in 0 blocks ==28856== indirectly lost: 0 bytes in 0 blocks ==28856== possibly lost: 182,191 bytes in 111 blocks ==28856== still reachable: 9,786,194 bytes in 3,851 blocks ==28856== suppressed: 0 bytes in 0 blocks ==28856== Rerun with --leak-check=full to see details of leaked memory ==28856== ==28856== For counts of detected and suppressed errors, rerun with: -v ==28856== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 2503 from 170) ================================================================================ 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.