!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_ZhouWadleyJohnson_2001NISTretabulation_Ta__MO_568033730744_000 Supported species : Ta random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Ta (Configuration in file "config-F-Ta.xyz") ----------------------------------------------------------------------------------------------------- Energy = 12.2622042699 Forces: 1 -6.40192208e+00 -1.26357786e+01 -1.31346057e+01 2 -1.37968090e+01 2.24809619e+01 -1.64865148e+01 3 -2.50254918e+00 -2.04876785e+01 -2.38609995e+00 4 -1.13216937e+01 5.17029487e+00 6.13410333e+00 5 2.02454359e+01 -2.93269780e+01 -7.05428997e+00 6 6.69819745e+00 1.29007662e+00 -1.24296330e+01 7 1.38243271e+01 -4.59545071e+01 -4.01213489e+01 8 -2.98179864e+01 -2.99750249e+01 -1.16162133e+01 9 -1.32751917e+01 -2.03922176e+01 -3.23645061e+01 10 -3.70176293e+00 2.83398001e+01 -3.19981463e+01 11 -5.76336388e+00 -2.00821280e+01 1.74408727e+00 12 -2.17011047e+01 2.96714524e+01 1.42568151e+01 13 -5.99129951e+00 -1.46538138e+01 -5.94018594e+01 14 1.11532308e+01 1.07462345e+01 -5.64078295e+00 15 6.75284404e+01 1.73519674e+01 5.45655230e+00 16 1.57496852e+01 4.58527866e+01 1.87565070e+01 17 -1.76799308e+01 -8.55678054e+00 -6.10563093e+00 18 -1.38460943e+01 1.06839107e+01 1.30807973e+01 19 7.77400098e+00 -1.50916270e+01 1.25754094e+01 20 -7.70044289e+00 1.10624232e+01 8.78388620e+00 21 -1.43540128e+01 -2.13653876e+01 1.41028869e+01 22 3.36219205e+01 2.92310631e+01 3.57159311e+01 23 5.61368965e+00 -2.84146405e+00 1.04622575e+01 24 4.02961217e+00 7.35637866e-01 1.11681558e+01 25 -2.32800421e+01 -6.57007490e+00 1.75668890e+01 26 -1.18145710e+01 3.16524791e+01 -1.23766299e+01 27 1.16600274e+01 -4.54118474e+01 1.79176633e+01 28 -3.75619456e+01 3.10588559e+01 6.49325973e+00 29 -7.80113508e+00 -9.37788022e+00 1.54237771e+01 30 1.31919261e+01 1.79054982e+01 -3.70449853e+00 31 2.40924951e+01 -1.43759153e+01 2.05209626e+01 32 1.31288688e+01 2.38656608e+01 2.46608187e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ta (Configuration in file "config-T-Ta.xyz") ----------------------------------------------------------------------------------------------------- Energy = 211.934574428 Forces: 1 2.92579452e+01 -2.00883834e+01 6.70076765e+00 2 -4.60900516e+01 1.96280507e+01 3.69233779e+01 3 -4.56237266e+00 2.37689380e+00 1.16634038e+00 4 2.76547394e+01 1.20701657e+01 -1.93654456e+00 5 3.55441565e+01 -2.68358639e+00 -1.21719926e+00 6 -3.55566541e+01 3.64077539e+01 8.97599781e+00 7 -5.24309465e+00 -4.38387657e+01 -4.09078081e+01 8 -3.17324977e+01 -2.97724132e+01 -1.05927606e+01 9 -2.65965193e+01 -4.27450980e+01 1.38490548e+01 10 -1.65336605e+01 4.01957186e+00 -1.56619467e+01 11 -5.16210708e+00 -2.12949383e+01 3.20212140e+00 12 9.70344720e+00 1.22700995e+01 3.81161785e+01 13 -4.85646134e+00 -1.90777594e+01 -4.51384616e+01 14 -3.04054709e+01 6.28107836e+00 -1.96282727e+01 15 5.10052744e+01 2.18206506e+01 5.76797058e+00 16 1.93756380e+01 3.04793436e+01 2.20329786e+01 17 2.12410640e+01 -2.08447840e+01 -9.80142800e+00 18 -1.29347731e+01 1.21932922e+01 1.22760977e+01 19 8.69003017e+00 6.95364908e+00 8.08013830e+00 20 2.47948393e+01 3.97999593e+01 -1.34829849e+01 21 -1.62405481e+01 -5.33996299e+00 1.49714551e+01 22 -3.81308195e+00 5.03388693e+01 4.36850913e+01 23 -3.21243774e+01 -3.52192595e+01 -1.23377087e+01 24 3.89213949e+01 1.13651355e+01 -4.21794921e+01 25 -9.77097921e+00 -1.12914869e+01 1.79338127e+01 26 -9.41419374e+00 7.66243260e+00 -1.78743048e+01 27 3.16169364e+01 -5.03628167e+01 -2.08862883e+01 28 -4.07177410e+01 3.46666393e+01 -1.50124114e+01 29 -8.41187380e+00 -1.06039135e+01 1.49400255e+01 30 1.89125315e+00 3.33545270e+00 -2.52336047e+00 31 1.90250178e+01 -1.74877159e+01 1.43620772e+01 32 2.14447218e+01 1.89818459e+01 6.19748688e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==10258== Memcheck, a memory error detector ==10258== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==10258== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==10258== Command: python runner2.py EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Ta__MO_568033730744_000 ==10258== ==10258== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==10258== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==10258== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==10258== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==10258== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==10258== by 0x4010732: call_init (dl-init.c:72) ==10258== by 0x4010732: _dl_init (dl-init.c:119) ==10258== by 0x40151FE: dl_open_worker (dl-open.c:522) ==10258== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==10258== by 0x40147C9: _dl_open (dl-open.c:605) ==10258== by 0x544CF95: dlopen_doit (dlopen.c:66) ==10258== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==10258== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==10258== by 0x544D734: _dlerror_run (dlerror.c:162) ==10258== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==10258== ==10258== ==10258== HEAP SUMMARY: ==10258== in use at exit: 5,884,742 bytes in 3,968 blocks ==10258== total heap usage: 115,282 allocs, 111,314 frees, 61,558,127 bytes allocated ==10258== ==10258== LEAK SUMMARY: ==10258== definitely lost: 0 bytes in 0 blocks ==10258== indirectly lost: 0 bytes in 0 blocks ==10258== possibly lost: 182,751 bytes in 112 blocks ==10258== still reachable: 5,701,991 bytes in 3,856 blocks ==10258== suppressed: 0 bytes in 0 blocks ==10258== Rerun with --leak-check=full to see details of leaked memory ==10258== ==10258== For counts of detected and suppressed errors, rerun with: -v ==10258== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 2518 from 175) ================================================================================ 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.