!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_Ag__MO_137719994600_002 Supported species : Ag random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Ag (Configuration in file "config-F-Ag.xyz") ----------------------------------------------------------------------------------------------------- Energy = 329.086180029 Forces: 1 -1.08791469e+01 -1.91910952e+01 -2.07251449e+01 2 -8.36412637e+00 1.24025332e+01 -1.91703919e+01 3 1.27801817e+01 -3.39011078e+01 -1.40473180e+01 4 -2.51206049e+01 1.28300022e+01 1.13578241e+00 5 -2.69571552e+00 -3.16043329e+01 -1.03976816e+01 6 2.00719284e+01 1.14767399e+01 -2.17679854e+01 7 1.90941357e+01 -5.44521653e+01 -3.71337603e+01 8 -2.69187090e+01 -2.05613729e+01 -3.18947202e+00 9 -2.03861080e+01 -1.47869261e+01 -3.48710143e+01 10 -8.32927213e+00 3.82498981e+01 -3.96834254e+01 11 -7.55280424e+00 -2.60125604e+01 5.94633821e+00 12 -2.46793481e+01 3.30050866e+01 4.35189585e+00 13 -1.05893830e+01 -2.63410506e+01 -7.80873953e+01 14 1.91480800e+01 2.28323321e+01 -1.58831980e+01 15 7.23720025e+01 -9.41817265e+00 1.58412020e+01 16 9.77124646e+00 6.12058152e+01 2.44186225e+01 17 -3.72846363e+01 -2.38367836e+01 -5.31786168e+00 18 2.07340859e+01 2.69151381e+01 1.64860130e+01 19 9.17885487e+00 -2.81865427e+01 1.61305084e+01 20 -1.52868921e+01 1.68148245e+01 1.85048141e+01 21 -2.28538655e+01 -2.51108305e+01 1.50661363e+01 22 4.19831366e+01 4.16825946e+01 2.85454674e+01 23 1.14457104e+01 -6.64680964e+00 2.34314262e+01 24 5.40086128e+00 1.22518963e+01 1.27372647e+01 25 -2.87974966e+01 -1.13389766e+01 1.76436020e+01 26 -1.16319439e+01 4.19614591e+01 -1.68784258e+01 27 1.75012107e+01 -5.81046272e+01 2.50277404e+01 28 -5.05628922e+01 4.15835964e+01 1.22111015e+01 29 -1.51494199e+01 -2.36612229e+01 1.75568608e+01 30 2.12141638e+01 3.13327149e+01 -2.15434922e+00 31 2.98823911e+01 -2.18118467e+01 3.02399960e+01 32 1.65043753e+01 3.04217924e+01 3.40326519e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ag (Configuration in file "config-T-Ag.xyz") ----------------------------------------------------------------------------------------------------- Energy = 496.071635104 Forces: 1 5.39360671e+01 -3.98079211e+01 1.19886961e+01 2 -5.28167451e+01 1.42381533e+01 6.21755620e+01 3 1.07794595e+01 -1.86961222e+00 -1.08051420e+01 4 1.69108383e+01 2.49536057e+01 -1.27657009e+01 5 7.56212537e+00 -8.71509477e+00 -3.11459001e-01 6 -5.73776383e+01 6.69743540e+01 6.99183401e+01 7 -5.60122907e+00 -4.88799012e+01 -3.64281869e+01 8 -2.73579641e+01 -2.13024280e+01 -3.57648514e+00 9 -3.44632498e+01 -4.08651666e+01 2.57964166e+01 10 -1.87705748e+01 2.02448136e+01 -1.57820918e+01 11 -8.60541380e+00 -2.55865246e+01 5.74690898e+00 12 5.48032109e+00 1.27005599e+01 1.64474587e+01 13 -7.80136091e+00 -3.08521869e+01 -6.06117213e+01 14 -1.56533949e+01 9.92691848e+00 -2.54264116e+01 15 5.37528901e+01 -9.03171279e+00 1.49285125e+01 16 1.29489385e+01 4.14216172e+01 2.63024848e+01 17 1.19972116e+01 -3.69862646e+01 -3.86704776e+00 18 2.29160587e+01 2.61099388e+01 1.66557863e+01 19 9.47384786e+00 3.69744079e+00 9.86011756e+00 20 6.72122785e+01 6.69034354e+01 -1.08746507e+01 21 -2.38271492e+01 -2.84702015e+00 1.62866057e+01 22 -8.37166297e+00 6.34863289e+01 3.71885919e+01 23 -6.54834282e+01 -6.72870991e+01 -7.59424430e+01 24 5.18983243e+01 1.99770375e+01 -6.87810006e+01 25 -1.05512672e+01 -1.66572569e+01 1.72082268e+01 26 -8.67831318e+00 1.05554912e+01 -2.11138327e+01 27 3.88391796e+01 -6.05507616e+01 -2.24349124e+01 28 -5.08494125e+01 4.40512292e+01 -1.35964691e+01 29 -1.41696436e+01 -2.30233304e+01 1.85381941e+01 30 1.63043839e-02 1.20669093e+01 3.36595957e+00 31 2.08262772e+01 -2.48109723e+01 2.14908861e+01 32 2.58283257e+01 2.17654204e+01 8.41880744e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==18322== Memcheck, a memory error detector ==18322== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==18322== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==18322== Command: python runner2.py Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Ag__MO_137719994600_002 ==18322== ==18322== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==18322== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==18322== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==18322== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==18322== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==18322== by 0x4010732: call_init (dl-init.c:72) ==18322== by 0x4010732: _dl_init (dl-init.c:119) ==18322== by 0x40151FE: dl_open_worker (dl-open.c:522) ==18322== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==18322== by 0x40147C9: _dl_open (dl-open.c:605) ==18322== by 0x544CF95: dlopen_doit (dlopen.c:66) ==18322== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==18322== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==18322== by 0x544D734: _dlerror_run (dlerror.c:162) ==18322== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==18322== ==18322== ==18322== HEAP SUMMARY: ==18322== in use at exit: 4,530,306 bytes in 3,907 blocks ==18322== total heap usage: 116,501 allocs, 112,594 frees, 58,159,397 bytes allocated ==18322== ==18322== LEAK SUMMARY: ==18322== definitely lost: 0 bytes in 0 blocks ==18322== indirectly lost: 0 bytes in 0 blocks ==18322== possibly lost: 182,191 bytes in 111 blocks ==18322== still reachable: 4,348,115 bytes in 3,796 blocks ==18322== suppressed: 0 bytes in 0 blocks ==18322== Rerun with --leak-check=full to see details of leaked memory ==18322== ==18322== For counts of detected and suppressed errors, rerun with: -v ==18322== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 2511 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.