!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_MarinicaVentelonGilbert_2013EAM3_W__MO_706622909913_000 Supported species : W random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = W (Configuration in file "config-F-W.xyz") ----------------------------------------------------------------------------------------------------- Energy = 840.928764857 Forces: 1 -3.95167146e+01 -6.02291255e+01 -7.15777356e+01 2 -3.27642288e+01 4.16727392e+01 -4.17894355e+01 3 4.11346533e+01 -7.58653790e+01 -2.95439638e+01 4 -4.66741913e+01 2.21741203e+01 1.84660313e+01 5 9.96598618e-01 -9.32610032e+01 -4.31616997e+01 6 4.69558904e+01 3.75249916e+01 -5.49027979e+01 7 8.09864106e+01 -1.38638398e+02 -7.64979550e+01 8 -7.38869342e+01 -7.57558985e+01 -2.88633504e+01 9 -6.72438306e+01 -5.99230112e+01 -1.14906842e+02 10 -2.74493965e+01 1.54047476e+02 -1.23715470e+02 11 -3.71543394e+01 -1.03559169e+02 2.81289861e+01 12 -8.48090253e+01 1.22812650e+02 9.92788359e+00 13 3.90677912e+01 -7.94879360e+01 -1.99467084e+02 14 4.37854521e+01 6.34310244e+01 -5.16559111e+01 15 1.87129429e+02 -3.51968482e+01 1.14779613e+01 16 5.61792106e+01 1.95731113e+02 5.33851149e+01 17 -1.23097794e+02 -6.58254173e+01 -3.62462586e+01 18 2.21833086e+01 8.96705049e+01 -6.56684627e+00 19 4.24661187e+01 -1.18978124e+02 7.09734990e+01 20 -5.27773251e+01 7.27168580e+01 6.28335891e+01 21 -9.34129245e+01 -7.91726173e+01 3.26017523e+01 22 1.29025407e+02 1.16167581e+02 7.07046463e+01 23 3.48286365e+01 -1.66468078e+01 7.53209642e+01 24 5.11034829e+01 3.18035018e+01 4.83420171e+01 25 -9.60651473e+01 -4.29291892e+01 1.05939884e+02 26 -4.18433863e+01 1.43501560e+02 -4.68432699e+01 27 6.18783816e+00 -1.46737365e+02 6.56308178e+01 28 -1.18586911e+02 8.65945785e+01 2.93781727e+01 29 -4.02413792e+01 -9.01666410e+01 6.52527700e+01 30 6.38583271e+01 1.07039948e+02 -4.02465198e+01 31 8.98105702e+01 -1.03883578e+02 1.00497249e+02 32 3.98244046e+01 1.01367863e+02 1.17123800e+02 MONOATOMIC STRUCTURE (pbc=True)-- Species = W (Configuration in file "config-T-W.xyz") ----------------------------------------------------------------------------------------------------- Energy = 1403.50594476 Forces: 1 1.06813687e+02 -7.84604498e+01 1.88994562e+01 2 -1.22429812e+02 3.92017683e+01 1.53381935e+02 3 3.71004390e+01 4.67284515e+01 -1.33683767e+01 4 1.03527786e+02 6.28349208e+01 -8.61745791e+00 5 3.57511669e+01 -1.50565625e+01 -3.17629788e+01 6 -1.17538697e+02 1.44849747e+02 2.18096571e+01 7 -6.59867569e+00 -1.53273556e+02 -7.43537089e+01 8 -7.50092284e+01 -7.90321652e+01 -3.09187743e+01 9 -9.56532424e+01 -1.35160224e+02 3.35280764e+01 10 -7.11346771e+01 1.00619255e+02 -4.95719842e+01 11 -4.10404712e+01 -1.01592099e+02 2.60696262e+01 12 -1.90643625e+01 5.70463221e+01 6.27440136e+01 13 4.70239895e+01 -1.01985225e+02 -1.42782992e+02 14 -7.35707301e+01 2.08285546e+01 -7.41444485e+01 15 1.23889061e+02 -3.80419038e+01 6.01365096e+00 16 7.38253253e+01 1.35734214e+02 6.78884396e+01 17 4.12216171e+01 -8.68419181e+01 -5.73054831e+01 18 2.09500053e+01 8.69777621e+01 -4.89266743e+00 19 4.85983817e+01 -1.71268799e+01 6.43241666e+01 20 8.22520308e+01 1.75472940e+02 -3.33603636e+01 21 -1.04740869e+02 -6.59688654e+00 2.92641283e+01 22 1.68199963e+00 1.72607922e+02 9.33324392e+01 23 -1.20407810e+02 -1.15391016e+02 -1.14696764e+01 24 1.53247634e+02 6.91762624e+01 -1.38499308e+02 25 -4.87209496e+01 -6.09586891e+01 1.01492966e+02 26 -3.78013667e+01 4.33631419e+01 -6.04278661e+01 27 5.19657032e+01 -1.66573010e+02 -6.04767259e+01 28 -9.81623274e+01 8.18114575e+01 -1.27585986e+01 29 -3.80494742e+01 -8.76757213e+01 6.82293953e+01 30 -9.50582156e+00 3.20743800e+01 -5.42218903e+01 31 6.77656598e+01 -1.15478849e+02 9.06873174e+01 32 8.38140307e+01 8.99180570e+01 2.12680319e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==1562== Memcheck, a memory error detector ==1562== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==1562== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==1562== Command: python runner2.py EAM_Dynamo_MarinicaVentelonGilbert_2013EAM3_W__MO_706622909913_000 ==1562== ==1562== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==1562== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==1562== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==1562== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==1562== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==1562== by 0x4010732: call_init (dl-init.c:72) ==1562== by 0x4010732: _dl_init (dl-init.c:119) ==1562== by 0x40151FE: dl_open_worker (dl-open.c:522) ==1562== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==1562== by 0x40147C9: _dl_open (dl-open.c:605) ==1562== by 0x544CF95: dlopen_doit (dlopen.c:66) ==1562== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==1562== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==1562== by 0x544D734: _dlerror_run (dlerror.c:162) ==1562== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==1562== ==1562== ==1562== HEAP SUMMARY: ==1562== in use at exit: 56,052,091 bytes in 3,960 blocks ==1562== total heap usage: 114,082 allocs, 110,122 frees, 115,720,471 bytes allocated ==1562== ==1562== LEAK SUMMARY: ==1562== definitely lost: 0 bytes in 0 blocks ==1562== indirectly lost: 0 bytes in 0 blocks ==1562== possibly lost: 182,191 bytes in 111 blocks ==1562== still reachable: 55,869,900 bytes in 3,849 blocks ==1562== suppressed: 0 bytes in 0 blocks ==1562== Rerun with --leak-check=full to see details of leaked memory ==1562== ==1562== For counts of detected and suppressed errors, rerun with: -v ==1562== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 2507 from 169) ================================================================================ 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.