!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_MendelevHan_Fe__MO_807997826449_000 Supported species : Fe random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Fe (Configuration in file "config-F-Fe.xyz") ----------------------------------------------------------------------------------------------------- Energy = -12.9527201841 Forces: 1 -5.87390836e+00 -4.84725876e+00 -8.96036546e+00 2 -9.51453492e+00 1.81155176e+01 -5.95879193e+00 3 9.44585697e+00 -8.06746008e+00 -1.11574201e+00 4 -6.44851792e+00 4.99687403e+00 2.42348748e+00 5 1.12301549e+01 -1.88081737e+01 1.99660576e+00 6 2.20036495e+00 1.52072962e+00 -2.88523777e+00 7 1.54555806e+00 -2.80440211e+01 -3.27455229e+01 8 -1.10151698e+01 -8.67682630e+00 -9.12130912e+00 9 -2.83012076e+00 -4.89971303e+00 -8.22294315e+00 10 -6.36218147e+00 8.28876675e+00 -1.44713690e+01 11 -1.92943621e+00 -7.84688369e+00 -5.03588741e-03 12 -5.78100804e+00 1.08945026e+01 1.76584739e+00 13 -1.40928837e+01 -1.23163323e+01 -3.86032132e+01 14 6.99242056e+00 1.16790903e+01 -8.64130563e+00 15 3.02632578e+01 -1.30592951e+01 1.62195631e+01 16 1.62650582e+00 2.22182780e+01 1.75475658e+01 17 -1.61418655e+01 -2.23070359e+00 -5.73035081e+00 18 1.58347226e+00 4.25905681e+00 2.13663765e+00 19 1.37563814e+01 -1.00153886e+01 1.04492570e+01 20 -5.48635878e+00 9.23896312e+00 3.89280720e+00 21 -1.12800331e+01 -9.97074762e+00 8.01844860e+00 22 2.00727393e+01 2.29258795e+01 2.27547329e+01 23 9.70757018e+00 -5.27106055e+00 5.26362857e+00 24 -8.39078471e+00 6.29691294e+00 3.76629124e+00 25 -8.58804643e+00 -6.52144087e+00 6.14567932e+00 26 1.43760041e+00 1.20868371e+01 -7.17962949e+00 27 2.19335357e+01 -3.65076648e+01 7.82346536e+00 28 -3.21540759e+01 2.72412509e+01 3.55139604e+00 29 -7.45086487e+00 2.08132657e+00 9.99799311e+00 30 5.71752310e+00 9.73751932e+00 5.72126844e+00 31 1.03391027e+01 -4.54756752e+00 6.76152934e+00 32 5.48774634e+00 1.00490325e+01 7.40461210e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Fe (Configuration in file "config-T-Fe.xyz") ----------------------------------------------------------------------------------------------------- Energy = 7.3280367878 Forces: 1 1.20281005e+00 -7.42647088e+00 -1.31414399e+00 2 -1.58620498e+01 1.86429147e+01 3.97769330e+00 3 1.17896119e+01 2.68013145e+00 8.13216788e-01 4 -1.96192667e+00 5.53292766e+00 3.72387973e-01 5 1.80651144e+01 -6.80895109e+00 3.30903141e+00 6 -3.99727232e+00 2.42998184e+01 2.87164263e+01 7 -2.46825228e+00 -2.36408413e+01 -3.34254782e+01 8 -1.03368831e+01 -8.95542415e+00 -9.55531855e+00 9 -6.27985537e+00 -1.60122163e+01 8.12513897e+00 10 -1.39880191e+01 -3.80355795e+00 -8.18048126e+00 11 -2.25702238e+00 -6.99172076e+00 -5.30662202e-01 12 2.18870537e+01 -6.76116311e-01 1.45809683e+01 13 -1.32908692e+01 -1.31735020e+01 -3.44283574e+01 14 -2.36500734e+01 1.26111258e+01 -2.48141571e+01 15 2.61350035e+01 -1.38834188e+01 1.60630572e+01 16 2.25370827e+00 1.87954702e+01 1.76660110e+01 17 2.16779975e+00 -1.41623831e+01 -2.97308767e+00 18 1.37931668e+00 3.96238451e+00 2.50938479e+00 19 1.70380314e+01 2.08602596e+00 8.01477242e+00 20 1.57799925e+01 2.40792137e+01 -3.10863552e+00 21 -1.13452939e+01 -5.94408175e+00 9.00495698e+00 22 3.01741033e+00 3.63253786e+01 2.01052757e+01 23 -1.01671138e+01 -3.71819924e+01 -2.11412841e+01 24 -4.78095559e+00 8.04233444e+00 -1.09433071e+01 25 -5.08809996e+00 -7.14188561e+00 6.79271511e+00 26 2.80744722e+00 5.15350510e+00 -8.28690751e+00 27 2.64927838e+01 -3.69665900e+01 -5.93067444e-01 28 -3.52365454e+01 2.77099864e+01 -6.56477967e+00 29 -6.86167708e+00 2.53390506e+00 1.01121428e+01 30 1.00897255e+00 5.14933084e+00 8.72270876e+00 31 8.71360897e+00 -4.10879117e+00 5.27851938e+00 32 7.83324432e+00 9.27349065e+00 1.69526060e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==2688== Memcheck, a memory error detector ==2688== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==2688== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==2688== Command: python runner2.py EAM_Dynamo_MendelevHan_Fe__MO_807997826449_000 ==2688== ==2688== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==2688== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==2688== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==2688== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==2688== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==2688== by 0x4010732: call_init (dl-init.c:72) ==2688== by 0x4010732: _dl_init (dl-init.c:119) ==2688== by 0x40151FE: dl_open_worker (dl-open.c:522) ==2688== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==2688== by 0x40147C9: _dl_open (dl-open.c:605) ==2688== by 0x544CF95: dlopen_doit (dlopen.c:66) ==2688== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==2688== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==2688== by 0x544D734: _dlerror_run (dlerror.c:162) ==2688== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==2688== ==2688== ==2688== HEAP SUMMARY: ==2688== in use at exit: 9,970,099 bytes in 3,961 blocks ==2688== total heap usage: 114,082 allocs, 110,121 frees, 63,877,417 bytes allocated ==2688== ==2688== LEAK SUMMARY: ==2688== definitely lost: 0 bytes in 0 blocks ==2688== indirectly lost: 0 bytes in 0 blocks ==2688== possibly lost: 182,191 bytes in 111 blocks ==2688== still reachable: 9,787,908 bytes in 3,850 blocks ==2688== suppressed: 0 bytes in 0 blocks ==2688== Rerun with --leak-check=full to see details of leaked memory ==2688== ==2688== For counts of detected and suppressed errors, rerun with: -v ==2688== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 2504 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.