!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_NN_Johnson_1988_Cu__MO_887933271505_002 Supported species : Cu random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Cu (Configuration in file "config-F-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = -16.6954494747 Forces: 1 -2.17503059e+00 -5.74161757e+00 -6.10700195e+00 2 -4.70847781e+00 6.18438696e+00 -3.26817680e+00 3 4.81188169e+00 -2.73103036e+00 -1.56274344e+00 4 -2.84693059e+00 4.68503659e+00 3.96283717e+00 5 3.11838982e+00 -9.93557606e+00 -7.20226055e-01 6 3.83586336e+00 3.45186125e+00 -3.59365590e+00 7 3.20809636e+00 -2.16440354e+01 -2.13244662e+01 8 -1.22347344e+01 -8.14764345e+00 -2.34216897e+00 9 -7.88216331e+00 -5.35158126e+00 -1.20529441e+01 10 -3.49909768e+00 1.36251621e+01 -1.40573759e+01 11 -3.74250121e+00 -1.14952427e+01 1.01868484e+01 12 -5.84634869e+00 8.49669089e+00 3.08938545e+00 13 -4.98041072e+00 -1.00508175e+01 -2.92784205e+01 14 4.62512357e+00 6.37030063e+00 -3.84700550e+00 15 2.60437715e+01 -4.24010377e+00 7.35360743e+00 16 3.86085830e+00 1.97010176e+01 1.10731089e+01 17 -1.25575572e+01 -8.32588970e+00 -4.55570178e+00 18 8.06669281e+00 1.33419200e+01 -1.44841543e+01 19 5.74611624e+00 -1.36514594e+01 9.50201611e+00 20 -9.87105686e+00 5.40216492e+00 1.14664795e+01 21 -1.14053805e+01 -7.10409589e+00 2.45013956e+00 22 1.45010939e+01 1.78084634e+01 1.73818549e+01 23 4.44219512e+00 -8.24979304e-01 6.64009614e+00 24 4.37161235e+00 2.16140593e+00 5.47971509e+00 25 -6.54502738e+00 -5.00341670e+00 -1.20314599e-02 26 -4.05335725e+00 1.24476075e+01 -7.53446726e+00 27 1.05848533e+01 -2.40625533e+01 8.52952781e+00 28 -2.03601646e+01 1.80341822e+01 3.67806903e+00 29 -6.31262531e+00 -6.04892943e+00 4.42501795e+00 30 4.95196458e+00 8.94085933e+00 1.55422259e+00 31 1.06028904e+01 -6.21207548e+00 7.79219794e+00 32 6.24946092e+00 9.91998792e+00 1.01754163e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Cu (Configuration in file "config-T-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 9.1779404742 Forces: 1 1.21457750e+01 -1.19047945e+01 1.15871362e+00 2 -1.15534809e+01 5.38852417e+00 1.20414473e+01 3 4.12296014e+00 5.07810720e+00 -2.72253927e-01 4 9.19758223e+00 8.50834554e+00 -1.04693170e+00 5 5.12531374e+00 -4.02435789e+00 2.73310159e+00 6 -1.29908459e+01 2.03624570e+01 8.65726429e+00 7 -2.61308028e+00 -2.06223049e+01 -2.09258443e+01 8 -1.16343616e+01 -8.39033082e+00 -2.42486445e+00 9 -1.50945743e+01 -1.47342686e+01 1.07269678e+01 10 -7.94995078e+00 7.86084695e+00 -6.91481093e+00 11 -3.95444064e+00 -1.07328413e+01 9.27403515e+00 12 4.57846388e+00 3.19710469e+00 7.21749081e+00 13 -4.59600466e+00 -1.12355432e+01 -2.49074920e+01 14 -6.44609885e+00 4.03373157e+00 -8.23266884e+00 15 2.19356282e+01 -4.09936523e+00 7.12334881e+00 16 4.76395747e+00 1.62975602e+01 1.03885957e+01 17 3.28564324e+00 -1.51785955e+01 -2.04085299e+00 18 7.84517286e+00 1.26047457e+01 -1.36595276e+01 19 4.63277187e+00 -4.56973306e+00 8.88222826e+00 20 4.31487447e-01 1.27814999e+01 2.13453932e+00 21 -1.12137606e+01 -2.26070879e+00 2.68652875e+00 22 -2.36979359e+00 2.58127111e+01 1.98868476e+01 23 -3.28956605e+00 -1.41664067e+01 -8.92791636e+00 24 1.21954109e+01 5.53311710e+00 -9.03687333e+00 25 -2.21983635e+00 -6.47485183e+00 3.49239582e-01 26 -3.23403537e+00 3.70527488e+00 -8.82419043e+00 27 1.97558596e+01 -2.31276069e+01 -7.87691542e+00 28 -2.11182839e+01 2.12491007e+01 -5.68475572e+00 29 -6.17824147e+00 -5.60802271e+00 4.48061608e+00 30 -9.02734190e-01 4.39883371e+00 3.55895967e+00 31 9.16181559e+00 -6.60071106e+00 6.62844787e+00 32 8.18124742e+00 6.91848268e+00 2.84752584e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==12683== Memcheck, a memory error detector ==12683== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==12683== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==12683== Command: python runner2.py EAM_NN_Johnson_1988_Cu__MO_887933271505_002 ==12683== ==12683== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==12683== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==12683== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==12683== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==12683== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==12683== by 0x4010732: call_init (dl-init.c:72) ==12683== by 0x4010732: _dl_init (dl-init.c:119) ==12683== by 0x40151FE: dl_open_worker (dl-open.c:522) ==12683== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==12683== by 0x40147C9: _dl_open (dl-open.c:605) ==12683== by 0x544CF95: dlopen_doit (dlopen.c:66) ==12683== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==12683== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==12683== by 0x544D734: _dlerror_run (dlerror.c:162) ==12683== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==12683== ==12683== ==12683== HEAP SUMMARY: ==12683== in use at exit: 4,415,897 bytes in 3,876 blocks ==12683== total heap usage: 108,964 allocs, 105,088 frees, 57,130,187 bytes allocated ==12683== ==12683== LEAK SUMMARY: ==12683== definitely lost: 0 bytes in 0 blocks ==12683== indirectly lost: 0 bytes in 0 blocks ==12683== possibly lost: 182,191 bytes in 111 blocks ==12683== still reachable: 4,233,706 bytes in 3,765 blocks ==12683== suppressed: 0 bytes in 0 blocks ==12683== Rerun with --leak-check=full to see details of leaked memory ==12683== ==12683== For counts of detected and suppressed errors, rerun with: -v ==12683== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 2511 from 171) ================================================================================ 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.