!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Na__MO_707981543254_002 Supported species : Na random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Na (Configuration in file "config-F-Na.xyz") ----------------------------------------------------------------------------------------------------- Energy = 249.875919142 Forces: 1 -5.50276504e+00 -5.78445895e+00 -7.67437719e+00 2 -2.27365623e+00 -3.25011200e-01 -1.07441700e+01 3 -2.93046530e-01 -1.03319222e+01 -2.16990550e+00 4 -9.44691990e+00 2.81429166e+00 -1.09511679e+00 5 1.50354376e+00 -9.12035490e+00 -6.81134318e+00 6 6.85354603e+00 -1.16403335e+00 -7.71202803e+00 7 6.67003349e+00 -9.70544571e+00 -3.39059836e+00 8 7.60786145e-01 -4.68223252e+00 -2.08486096e+00 9 -6.83222895e+00 -1.90299967e+00 -1.05829157e+01 10 3.92544197e-01 9.93158934e+00 -9.01599611e+00 11 -5.38733792e+00 -7.95662507e-01 -2.04850878e+00 12 -9.42358135e+00 8.32517748e+00 1.54191236e+00 13 2.55464402e+00 1.92292392e-01 -1.36368664e+01 14 6.19805862e+00 5.95459303e+00 -5.53019985e+00 15 1.33574983e+01 4.25963894e-01 -2.13907155e+00 16 2.25054918e+00 1.29665001e+01 -4.63073774e-01 17 -9.28024986e+00 -6.68128151e+00 2.49202304e+00 18 -2.58352850e+00 -3.40335762e-01 2.76509243e+00 19 -9.30331101e-01 -8.06205778e+00 8.07410265e+00 20 -7.21405444e+00 -5.88136967e-01 6.65371154e+00 21 1.80064864e+00 -9.91907554e+00 3.44185857e+00 22 1.11705644e+01 -8.30312986e-02 3.13197391e+00 23 4.60612944e+00 -4.39177752e+00 6.14631274e+00 24 4.18799364e-01 -3.20424318e+00 1.03619312e+01 25 -1.08187303e+01 6.91668595e-01 5.66459706e-01 26 -2.23735150e+00 1.18931705e+01 6.54823331e-01 27 -1.71729751e+00 -1.92892541e+00 9.62038743e+00 28 -8.56488470e+00 7.28035058e+00 5.53561750e+00 29 1.74796004e+00 7.72542214e-01 4.22911942e+00 30 8.60402934e+00 8.32102236e+00 2.34561018e+00 31 9.62384990e+00 1.12786879e+00 8.30242476e+00 32 3.99277905e+00 8.31395508e+00 9.23567135e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Na (Configuration in file "config-T-Na.xyz") ----------------------------------------------------------------------------------------------------- Energy = 201.791276609 Forces: 1 3.52360216e+00 -1.01080988e+00 -1.20874964e+00 2 -2.27803529e+00 5.70462279e-01 8.23548103e-01 3 1.23068055e+00 1.47190394e+00 -3.94922122e-02 4 3.18417009e+00 6.18246676e+00 -1.18461078e-01 5 1.49059692e+00 4.36938365e-01 -1.54668658e+00 6 -3.97893165e+00 4.84572957e+00 3.55641288e-01 7 -3.41285781e+00 -2.93904305e+00 -1.47645713e+00 8 -1.04892427e+00 -3.12977762e+00 -5.73635410e-02 9 -3.27742652e+00 -7.06714923e+00 1.08019004e+00 10 1.15165942e+00 1.95695105e+00 -1.01106846e+00 11 -3.41464229e+00 -3.25111020e+00 6.78645087e-01 12 -7.41102548e-01 -4.59650703e-01 4.73651199e+00 13 1.38370547e+00 -1.54625152e+00 -4.47286184e+00 14 -3.64742774e+00 -3.90407769e-01 -2.85177311e+00 15 5.27261918e+00 -1.22030226e+00 7.53716395e-02 16 2.02450349e+00 3.04271140e+00 1.24514771e+00 17 1.51739652e+00 -2.60392161e+00 1.84551464e+00 18 9.84419459e-02 2.56768410e+00 7.07519971e-01 19 1.27391743e+00 1.94145738e+00 1.22016603e+00 20 1.71571103e+00 3.97705858e+00 -7.92632329e-01 21 1.13961646e+00 7.33425074e-01 2.08097862e+00 22 -1.33801857e+00 5.15156040e+00 3.83171310e+00 23 -3.62051126e+00 -3.55792566e+00 -3.23612890e+00 24 1.14673783e+00 -1.06165711e+00 -2.15374566e+00 25 -1.95838083e+00 -2.63333077e+00 -3.48299850e-01 26 -4.04231122e-01 3.03356225e-01 -1.06778297e+00 27 1.64474628e+00 -5.71087798e+00 -1.79641800e+00 28 -5.34915664e+00 2.16004783e+00 -3.12429255e+00 29 -2.99446415e-01 -1.17020035e+00 2.83504206e+00 30 -9.45513342e-02 1.72042252e-01 1.98547642e+00 31 2.49718332e+00 2.43896049e-01 1.59142142e+00 32 4.56835618e+00 1.99472443e+00 2.09325738e-01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==19573== Memcheck, a memory error detector ==19573== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==19573== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==19573== Command: python runner2.py Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Na__MO_707981543254_002 ==19573== ==19573== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==19573== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==19573== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==19573== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==19573== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==19573== by 0x4010732: call_init (dl-init.c:72) ==19573== by 0x4010732: _dl_init (dl-init.c:119) ==19573== by 0x40151FE: dl_open_worker (dl-open.c:522) ==19573== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==19573== by 0x40147C9: _dl_open (dl-open.c:605) ==19573== by 0x544CF95: dlopen_doit (dlopen.c:66) ==19573== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==19573== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==19573== by 0x544D734: _dlerror_run (dlerror.c:162) ==19573== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==19573== ==19573== ==19573== HEAP SUMMARY: ==19573== in use at exit: 5,391,082 bytes in 3,908 blocks ==19573== total heap usage: 146,201 allocs, 142,293 frees, 61,629,657 bytes allocated ==19573== ==19573== LEAK SUMMARY: ==19573== definitely lost: 0 bytes in 0 blocks ==19573== indirectly lost: 0 bytes in 0 blocks ==19573== possibly lost: 182,191 bytes in 111 blocks ==19573== still reachable: 5,208,891 bytes in 3,797 blocks ==19573== suppressed: 0 bytes in 0 blocks ==19573== Rerun with --leak-check=full to see details of leaked memory ==19573== ==19573== For counts of detected and suppressed errors, rerun with: -v ==19573== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 2509 from 173) ================================================================================ 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.