!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_NicholAckland_2016v2_Cs__MO_144828415103_000 Supported species : Cs random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Cs (Configuration in file "config-F-Cs.xyz") ----------------------------------------------------------------------------------------------------- Energy = 668.643986323 Forces: 1 -1.32632297e+01 -5.88951245e+01 -4.46715214e+01 2 -1.54183073e+01 1.89989288e+01 -2.91813422e+01 3 1.59525815e+00 -3.65288924e+01 -9.66950967e+00 4 -2.65824595e+01 4.06070576e+01 3.51468028e+01 5 1.29066384e+01 -4.51265176e+01 -1.59905119e+01 6 2.06749711e+01 3.85052013e+00 -2.64920366e+01 7 2.31737437e+01 -1.03979221e+02 -9.29541096e+01 8 -9.07215123e+01 -7.88209319e+01 -3.42610788e+00 9 -2.20948337e+01 -3.79922196e+01 -7.12443951e+01 10 -1.10647666e+01 5.54325295e+01 -6.48661551e+01 11 -2.09687015e+01 -3.50833347e+01 1.33107912e+01 12 -4.31469023e+01 5.62642079e+01 3.82974025e+01 13 -1.89732933e+01 -2.53768504e+01 -1.23755167e+02 14 2.45882278e+01 2.46586414e+01 -1.42974461e+01 15 1.51520564e+02 4.66535550e+01 1.67528750e+01 16 3.05708564e+01 8.70198395e+01 4.31001753e+01 17 -6.44831480e+01 -4.89880789e+01 -4.45824461e+01 18 1.35741244e+01 3.02781397e+01 2.86535908e+00 19 3.45995858e+01 -3.95471243e+01 3.85601283e+01 20 -2.20268771e+01 4.07635571e+01 4.77159523e+01 21 -3.39556367e+01 -3.86000888e+01 2.03239088e+01 22 7.33168739e+01 7.07524796e+01 8.45924619e+01 23 2.22085400e+01 -1.23661024e+01 2.28873567e+01 24 7.57113568e-01 1.53447601e+01 2.40473091e+01 25 -4.46728813e+01 -9.45814796e+00 -1.37812029e+00 26 -2.05110587e+01 6.24365256e+01 -2.46817489e+01 27 5.23884225e+01 -1.08517556e+02 4.21914993e+01 28 -9.91016315e+01 8.80713624e+01 2.06475165e+01 29 -1.92198554e+01 -1.95349528e+01 2.81638292e+01 30 2.70121993e+01 3.42033031e+01 -2.10519889e+00 31 4.94158304e+01 -2.26782664e+01 4.06695429e+01 32 2.79021458e+01 4.61580028e+01 5.00229057e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Cs (Configuration in file "config-T-Cs.xyz") ----------------------------------------------------------------------------------------------------- Energy = 1290.85189499 Forces: 1 6.38707951e+01 -7.44542233e+01 2.53101408e-02 2 -7.14615289e+01 3.27489773e+01 5.65025405e+01 3 -4.35669545e-01 5.28018687e+00 -2.39197061e+00 4 4.85642359e+01 5.34956226e+01 5.65487884e+01 5 2.55574179e+01 -1.44663136e+01 7.58803923e+00 6 -8.85521027e+01 7.46975710e+01 9.34116332e+00 7 -1.06916262e+00 -9.06690867e+01 -8.65301677e+01 8 -9.49028214e+01 -7.65205697e+01 -7.30069958e-01 9 -5.10331904e+01 -8.30402158e+01 3.80102190e+01 10 -2.78046928e+01 2.49155691e+01 -3.24210007e+01 11 -1.81542752e+01 -3.79747620e+01 1.67931585e+01 12 3.94306421e+01 1.72519559e+01 9.16696562e+01 13 -1.99946133e+01 -3.48678430e+01 -9.88765347e+01 14 -7.02406703e+01 9.87991283e+00 -4.54959176e+01 15 1.25971018e+02 5.19720980e+01 2.24327893e+01 16 3.33256178e+01 5.77526181e+01 4.87510049e+01 17 2.36229953e+01 -5.96908614e+01 -7.75296935e+01 18 2.02798415e+01 3.38316385e+01 8.35582263e-01 19 3.82867509e+01 6.92352701e+00 3.15487572e+01 20 4.92546495e+01 9.61035796e+01 -1.39626277e+00 21 -3.79312730e+01 -8.51878083e+00 1.97204867e+01 22 1.87727153e+01 1.03873044e+02 7.23286211e+01 23 -8.11176179e+01 -7.49966896e+01 -7.29815474e+00 24 5.40187537e+01 2.54706619e+01 -7.58896660e+01 25 -1.77054008e+01 -2.01057462e+01 -2.66728141e+00 26 -1.45715423e+01 1.68817518e+01 -3.62329045e+01 27 9.86129876e+01 -1.13781009e+02 -4.08155499e+01 28 -9.71993692e+01 8.76155083e+01 -2.41403249e+01 29 -2.17129347e+01 -2.28299645e+01 2.57746972e+01 30 2.20170966e+00 9.52457689e+00 -4.17985196e+00 31 3.46578920e+01 -2.83207903e+01 2.58934317e+01 32 3.74588427e+01 3.20180572e+01 1.28311051e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==5075== Memcheck, a memory error detector ==5075== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==5075== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==5075== Command: python runner2.py EAM_Dynamo_NicholAckland_2016v2_Cs__MO_144828415103_000 ==5075== ==5075== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==5075== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==5075== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==5075== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==5075== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==5075== by 0x4010732: call_init (dl-init.c:72) ==5075== by 0x4010732: _dl_init (dl-init.c:119) ==5075== by 0x40151FE: dl_open_worker (dl-open.c:522) ==5075== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==5075== by 0x40147C9: _dl_open (dl-open.c:605) ==5075== by 0x544CF95: dlopen_doit (dlopen.c:66) ==5075== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==5075== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==5075== by 0x544D734: _dlerror_run (dlerror.c:162) ==5075== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==5075== ==5075== ==5075== HEAP SUMMARY: ==5075== in use at exit: 10,129,665 bytes in 3,961 blocks ==5075== total heap usage: 118,831 allocs, 114,870 frees, 64,466,141 bytes allocated ==5075== ==5075== LEAK SUMMARY: ==5075== definitely lost: 0 bytes in 0 blocks ==5075== indirectly lost: 0 bytes in 0 blocks ==5075== possibly lost: 182,191 bytes in 111 blocks ==5075== still reachable: 9,947,474 bytes in 3,850 blocks ==5075== suppressed: 0 bytes in 0 blocks ==5075== Rerun with --leak-check=full to see details of leaked memory ==5075== ==5075== For counts of detected and suppressed errors, rerun with: -v ==5075== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 2503 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.