!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_Foiles_1985_Cu__MO_831121933939_000 Supported species : Cu random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Cu (Configuration in file "config-F-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = -3.10740242 Forces: 1 -2.46540309e+00 -6.53663666e+00 -6.90877549e+00 2 -6.24872896e+00 6.46701915e+00 -4.78004603e+00 3 3.24528648e+00 -8.28878141e+00 -5.01398488e+00 4 -3.36472126e+00 5.12731336e+00 4.65801791e+00 5 3.31025591e+00 -1.18219313e+01 -1.19889470e+00 6 5.57123581e+00 3.44494953e+00 -5.38921803e+00 7 3.43846073e+00 -2.37440832e+01 -2.25801074e+01 8 -8.89508286e+00 -1.01978463e+01 8.04095828e-01 9 -1.02448431e+01 -5.91681851e+00 -1.47404290e+01 10 -4.09661079e+00 1.68660070e+01 -1.67584803e+01 11 -4.17634016e+00 -1.31448309e+01 1.29343299e+01 12 -6.81232715e+00 1.04686114e+01 2.70917529e+00 13 -4.67028083e+00 -7.76712733e+00 -3.61010959e+01 14 5.27512599e+00 7.24169781e+00 -4.24569332e+00 15 3.12040386e+01 -1.37283897e+00 1.26886079e+01 16 4.96068388e+00 2.28224052e+01 1.33580340e+01 17 -8.57715624e+00 -3.35422518e+00 -3.68962627e+00 18 -2.84878954e+00 8.27815289e+00 4.17954620e+00 19 3.53244112e+00 -7.19155251e+00 4.88767512e+00 20 -2.75150523e+00 6.12757044e+00 4.03474644e+00 21 -9.50574106e+00 -1.00025214e+01 3.25650773e+00 22 1.41324689e+01 2.04446998e+01 1.80329849e+01 23 6.34604857e+00 -2.51573350e+00 5.74305652e+00 24 -8.64116727e-01 6.38464311e+00 4.92178168e+00 25 -6.17215685e+00 -7.46384069e+00 2.71726812e+00 26 -5.15812069e+00 1.44018791e+01 -8.46043617e+00 27 1.15563907e+01 -2.86764925e+01 8.64761859e+00 28 -2.24038755e+01 1.95051188e+01 3.62570330e+00 29 -6.35057310e+00 -1.02765261e+01 3.17038771e+00 30 5.85689216e+00 1.20819352e+01 -5.57804517e+00 31 1.04159709e+01 -1.25883901e+01 1.29853639e+01 32 6.76107334e+00 1.11981737e+01 1.20899317e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Cu (Configuration in file "config-T-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 37.3757753782 Forces: 1 1.46280348e+01 -1.36916858e+01 2.35516361e+00 2 -1.95314330e+01 9.04642043e+00 1.35939830e+01 3 2.87789273e+00 8.90890938e-01 -3.84706125e+00 4 1.08360031e+01 9.61526531e+00 -1.24229874e+00 5 6.67857657e+00 -1.29743328e+01 1.03092849e+01 6 -1.25645881e+01 2.22536947e+01 9.79195142e+00 7 -3.28150418e+00 -2.37040237e+01 -2.18013550e+01 8 -8.37245363e+00 -1.03146587e+01 4.48422106e-01 9 -1.88672173e+01 -1.68261487e+01 1.13616075e+01 10 -9.07446171e+00 1.07810448e+01 -8.43527350e+00 11 -4.33385767e+00 -1.23669553e+01 1.22509569e+01 12 3.15722808e+00 4.53539209e+00 9.57678416e+00 13 -4.02123834e+00 -9.14156096e+00 -3.09208914e+01 14 -7.84677242e+00 4.61703418e+00 -9.41181995e+00 15 2.60559582e+01 -1.35147098e+00 1.20468639e+01 16 6.03927489e+00 1.90336971e+01 1.26223182e+01 17 1.02641532e+01 -1.13715046e+01 -2.99526201e+00 18 -2.96297825e+00 7.78202008e+00 4.35011682e+00 19 2.96436246e+00 2.77744965e+00 4.52351841e+00 20 1.03738646e+01 1.71695271e+01 -5.97081478e+00 21 -9.69660153e+00 -4.22017963e+00 3.06989773e+00 22 -4.83600624e+00 2.98153229e+01 2.11249400e+01 23 -5.88431932e+00 -1.86612604e+01 -9.50381760e+00 24 1.13136380e+01 1.44290221e+01 -2.21945393e+01 25 -1.73589960e+00 -8.90550273e+00 2.41475409e+00 26 -4.11541488e+00 4.34529347e+00 -1.02744182e+01 27 2.19331576e+01 -2.78977411e+01 -1.02240979e+01 28 -2.21139032e+01 2.26480678e+01 -5.66897886e+00 29 -6.04303358e+00 -9.62433675e+00 3.30171446e+00 30 -1.16733819e-01 6.23513950e+00 -5.80935326e+00 31 8.78812201e+00 -1.31947989e+01 1.16299480e+01 32 9.48815075e+00 8.27087899e+00 3.52775652e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==32038== Memcheck, a memory error detector ==32038== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==32038== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==32038== Command: python runner2.py EAM_Dynamo_Foiles_1985_Cu__MO_831121933939_000 ==32038== ==32038== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==32038== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==32038== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==32038== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==32038== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==32038== by 0x4010732: call_init (dl-init.c:72) ==32038== by 0x4010732: _dl_init (dl-init.c:119) ==32038== by 0x40151FE: dl_open_worker (dl-open.c:522) ==32038== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==32038== by 0x40147C9: _dl_open (dl-open.c:605) ==32038== by 0x544CF95: dlopen_doit (dlopen.c:66) ==32038== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==32038== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==32038== by 0x544D734: _dlerror_run (dlerror.c:162) ==32038== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==32038== ==32038== ==32038== HEAP SUMMARY: ==32038== in use at exit: 5,093,147 bytes in 3,960 blocks ==32038== total heap usage: 113,724 allocs, 109,764 frees, 58,398,373 bytes allocated ==32038== ==32038== LEAK SUMMARY: ==32038== definitely lost: 0 bytes in 0 blocks ==32038== indirectly lost: 0 bytes in 0 blocks ==32038== possibly lost: 182,191 bytes in 111 blocks ==32038== still reachable: 4,910,956 bytes in 3,849 blocks ==32038== suppressed: 0 bytes in 0 blocks ==32038== Rerun with --leak-check=full to see details of leaked memory ==32038== ==32038== For counts of detected and suppressed errors, rerun with: -v ==32038== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 2511 from 170) ================================================================================ 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.