!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_Glyde_1970_Ne__MO_169434419764_002 Supported species : Ne random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Ne (Configuration in file "config-F-Ne.xyz") ----------------------------------------------------------------------------------------------------- Energy = 34.4065473921 Forces: 1 -1.94275276e+00 -2.07109529e+00 -3.11213280e+00 2 -1.69569268e+00 2.06336728e+00 -2.40542795e+00 3 6.30061246e-01 -2.02853632e+00 1.77723512e+00 4 -1.56101477e+00 1.70488402e+00 1.16645915e+00 5 1.82402630e+00 -3.73003517e+00 -1.40198003e+00 6 1.66883514e+00 6.65591297e-01 -1.97692522e+00 7 1.18280124e+00 -8.56880065e+00 -8.00832062e+00 8 -6.57607744e+00 -6.22936576e+00 8.94839237e-01 9 -3.65902486e+00 -6.47924690e-01 -3.70343242e+00 10 -2.04634202e+00 5.38454478e+00 -5.29689033e+00 11 -1.45829196e+00 -4.05898722e+00 4.01708774e+00 12 -2.08421668e+00 4.78850053e+00 -2.84521100e+00 13 -1.43982613e+00 -1.42481424e+00 -1.18665386e+01 14 1.70608050e+00 1.82256497e+00 -8.69145107e-01 15 1.24363855e+01 3.34916975e+00 3.93283719e+00 16 2.53859120e+00 6.88589211e+00 4.53352331e+00 17 -3.02480589e+00 -2.18751841e+00 -1.61385929e+00 18 1.57563370e+00 1.87191393e+00 -4.18515301e-01 19 1.28560232e+00 -2.95798677e+00 1.83053915e+00 20 -1.43046874e+00 1.79309308e+00 1.84435626e+00 21 -3.32650555e+00 -2.22816603e+00 2.16364578e+00 22 5.07322229e+00 7.16983187e+00 6.62773099e+00 23 9.29606301e-01 -4.90520681e-01 1.92528831e+00 24 9.43627068e-01 7.61242505e-01 1.12020497e+00 25 -1.63599724e+00 -4.32817897e+00 3.04749010e+00 26 -1.57592987e+00 4.58289269e+00 -2.37829677e+00 27 4.65485370e+00 -9.70607434e+00 2.76780735e+00 28 -8.50288498e+00 7.47140991e+00 1.20489574e+00 29 -2.06660715e+00 -3.05459037e+00 9.04963430e-01 30 1.93800887e+00 3.71947048e+00 -2.12738017e+00 31 3.41310189e+00 -3.93587352e+00 4.37419857e+00 32 2.22600149e+00 3.61409920e+00 3.89095318e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ne (Configuration in file "config-T-Ne.xyz") ----------------------------------------------------------------------------------------------------- Energy = 61.1490275918 Forces: 1 4.75804158e+00 -5.57558920e+00 9.11963458e-01 2 -1.31995722e+01 6.71496097e-01 1.50185318e+01 3 3.96683087e-01 2.01111118e+00 3.14439112e+00 4 3.79586384e+00 2.73369442e+00 -6.17420010e-01 5 3.25276620e+00 -1.19036341e+00 -7.14780786e-01 6 -6.93383669e+00 9.69846036e+00 6.82470071e+00 7 -1.02193818e+00 -8.55972792e+00 -7.98984087e+00 8 -6.63463094e+00 -6.23347147e+00 9.12264255e-01 9 -6.85246460e+00 -4.51728974e+00 5.61257599e+00 10 -3.34059761e+00 1.90724776e+00 -4.06955064e+00 11 -1.46891984e+00 -4.06877145e+00 4.09271699e+00 12 -4.69604467e-01 2.90857320e+00 -2.62724298e+00 13 -1.25747788e+00 -1.93888944e+00 -1.03301217e+01 14 -6.64486637e-01 7.44654971e-01 -1.26297585e+00 15 1.08148888e+01 3.88994912e+00 3.88540898e+00 16 2.89916585e+00 5.25466343e+00 4.89805733e+00 17 3.58309504e+00 -4.83436574e+00 -1.41748161e+00 18 1.65884955e+00 1.86775324e+00 -4.11981092e-01 19 1.44976582e+00 4.81730373e-01 1.80987319e+00 20 7.88975431e+00 8.88212312e+00 -1.77811599e+00 21 -3.55620359e+00 -3.17375321e-01 2.15837445e+00 22 -1.47926278e+00 1.09066778e+01 7.89482314e+00 23 -7.91821769e+00 -1.13253999e+01 -7.30751865e+00 24 1.26804383e+01 3.08767552e+00 -1.62504427e+01 25 -1.71284979e-01 -4.90283001e+00 2.88993795e+00 26 -1.35582315e+00 1.86116967e+00 -3.63357323e+00 27 8.63666889e+00 -9.83633688e+00 -4.02598394e+00 28 -8.67680256e+00 8.76832182e+00 -2.14883681e+00 29 -2.05223591e+00 -3.05252418e+00 9.18614479e-01 30 -7.57437045e-01 1.89680741e+00 -1.40428858e+00 31 2.77365944e+00 -4.21039311e+00 3.74002984e+00 32 3.22115605e+00 2.99121827e+00 1.27789178e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==2002== Memcheck, a memory error detector ==2002== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==2002== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==2002== Command: python runner2.py Morse_Shifted_Glyde_1970_Ne__MO_169434419764_002 ==2002== ==2002== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==2002== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==2002== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==2002== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==2002== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==2002== by 0x4010732: call_init (dl-init.c:72) ==2002== by 0x4010732: _dl_init (dl-init.c:119) ==2002== by 0x40151FE: dl_open_worker (dl-open.c:522) ==2002== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==2002== by 0x40147C9: _dl_open (dl-open.c:605) ==2002== by 0x544CF95: dlopen_doit (dlopen.c:66) ==2002== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==2002== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==2002== by 0x544D734: _dlerror_run (dlerror.c:162) ==2002== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==2002== ==2002== ==2002== HEAP SUMMARY: ==2002== in use at exit: 4,606,112 bytes in 3,908 blocks ==2002== total heap usage: 119,207 allocs, 115,299 frees, 58,511,860 bytes allocated ==2002== ==2002== LEAK SUMMARY: ==2002== definitely lost: 0 bytes in 0 blocks ==2002== indirectly lost: 0 bytes in 0 blocks ==2002== possibly lost: 182,191 bytes in 111 blocks ==2002== still reachable: 4,423,921 bytes in 3,797 blocks ==2002== suppressed: 0 bytes in 0 blocks ==2002== Rerun with --leak-check=full to see details of leaked memory ==2002== ==2002== For counts of detected and suppressed errors, rerun with: -v ==2002== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 2506 from 172) ================================================================================ 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.