!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_Al__MO_060567868558_000 Supported species : Al random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Al (Configuration in file "config-F-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 14.9350437312 Forces: 1 -3.27326940e+00 -8.23296955e+00 -6.97866122e+00 2 -2.35822137e+00 1.71404070e+00 -8.35261951e+00 3 3.11514666e+00 -8.21630779e+00 -2.91624142e+00 4 -6.58488679e+00 5.10293689e+00 4.30539863e+00 5 1.39872370e+00 -9.60100525e+00 -4.37767966e+00 6 5.63182037e+00 1.12180151e+00 -6.59055212e+00 7 5.84013668e+00 -1.34609011e+01 -8.55652048e+00 8 -5.25695264e+00 -5.95235292e+00 1.97375675e+00 9 -8.15191736e+00 -7.94323062e-02 -9.96422488e+00 10 -3.13143373e+00 1.25892897e+01 -1.09973415e+01 11 -4.40084354e+00 -7.06155088e+00 5.55335641e+00 12 -6.68906611e+00 8.94176266e+00 -2.56075728e+00 13 1.77988691e-01 -3.69318823e+00 -2.16050220e+01 14 5.67497584e+00 6.39760943e+00 -4.97264605e+00 15 1.90264046e+01 -2.71062030e+00 2.83787510e+00 16 1.52997506e+00 1.68550079e+01 5.39461838e+00 17 -9.90104383e+00 -4.84170175e+00 7.78866240e-01 18 2.73582620e+00 6.00583301e+00 1.18045482e+00 19 8.58316723e-01 -7.56137961e+00 5.10809583e+00 20 -4.76925771e+00 2.77246619e+00 4.56408466e+00 21 -5.13543002e+00 -8.10247733e+00 2.33064435e+00 22 1.10022480e+01 8.91071370e+00 7.37962680e+00 23 4.91910358e+00 -2.63896651e+00 5.26105042e+00 24 -6.81474941e-01 3.64578513e+00 5.69482560e+00 25 -7.57342407e+00 -6.68593719e+00 2.07996232e+00 26 -2.26039756e+00 1.22009785e+01 -3.57147832e+00 27 3.69377075e+00 -1.34728294e+01 8.78918590e+00 28 -1.22284248e+01 1.02095306e+01 4.57001048e+00 29 -3.41623614e+00 -7.27046957e+00 4.24832852e+00 30 6.99144072e+00 8.85465119e+00 1.95625149e+00 31 8.68811395e+00 -4.04794102e+00 7.78134661e+00 32 4.52828839e+00 8.30762360e+00 9.65600519e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Al (Configuration in file "config-T-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 102.833385193 Forces: 1 9.87495672e+00 -1.16655181e+01 1.76733468e+00 2 -7.73756092e+00 4.04558908e+00 4.35793405e+00 3 3.26926503e+00 2.64975945e+00 -2.28951909e+00 4 6.30075272e+00 8.77282254e+00 6.54651961e+00 5 3.44584374e+00 -2.70819317e+00 4.59400608e-01 6 -1.08414536e+01 1.21468519e+01 2.62654914e+00 7 -3.05312441e+00 -9.39747098e+00 -8.72449045e+00 8 -6.47256875e+00 -5.56854739e+00 2.94901811e+00 9 -1.04501088e+01 -6.70795278e+00 5.12222779e+00 10 -5.50836967e+00 6.39301002e+00 -3.77011276e+00 11 -4.01128747e+00 -7.93104153e+00 7.02838971e+00 12 2.31117901e+00 1.92128859e+00 -5.10580381e+00 13 5.00692598e-01 -5.74311851e+00 -1.57118934e+01 14 -7.30421534e-01 1.92117245e+00 -4.60945737e+00 15 1.27646672e+01 -3.44065964e+00 3.06014046e+00 16 2.31310327e+00 9.53397738e+00 6.55596344e+00 17 4.18328879e+00 -5.04854778e+00 2.63337270e+00 18 4.12023918e+00 6.93529916e+00 7.60004566e-01 19 1.33982823e+00 1.79151360e+00 2.06177025e+00 20 8.39003817e+00 1.22386536e+01 -4.75760284e+00 21 -5.92570277e+00 -4.83776208e-01 2.75171875e+00 22 -1.04451475e+00 1.61536497e+01 8.19036602e+00 23 -7.62418445e+00 -1.32405050e+01 -7.58817625e+00 24 4.37616169e+00 6.03199633e+00 -9.74571275e+00 25 -8.45476746e-01 -9.15236976e+00 2.18599793e+00 26 -1.11208132e+00 2.30132166e+00 -5.05000438e+00 27 8.90809208e+00 -1.52322234e+01 -4.85445782e+00 28 -1.23425241e+01 9.83096406e+00 -2.79956181e+00 29 -3.75639496e+00 -8.02694972e+00 4.06267812e+00 30 -2.76095737e+00 2.14454889e+00 5.86490342e+00 31 5.03858998e+00 -5.20827672e+00 4.33066247e+00 32 7.08003325e+00 4.74273235e+00 1.69184095e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==9251== Memcheck, a memory error detector ==9251== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==9251== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==9251== Command: python runner2.py EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Al__MO_060567868558_000 ==9251== ==9251== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==9251== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==9251== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==9251== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==9251== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==9251== by 0x4010732: call_init (dl-init.c:72) ==9251== by 0x4010732: _dl_init (dl-init.c:119) ==9251== by 0x40151FE: dl_open_worker (dl-open.c:522) ==9251== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==9251== by 0x40147C9: _dl_open (dl-open.c:605) ==9251== by 0x544CF95: dlopen_doit (dlopen.c:66) ==9251== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==9251== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==9251== by 0x544D734: _dlerror_run (dlerror.c:162) ==9251== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==9251== ==9251== ==9251== HEAP SUMMARY: ==9251== in use at exit: 5,936,109 bytes in 3,961 blocks ==9251== total heap usage: 116,077 allocs, 112,116 frees, 59,481,627 bytes allocated ==9251== ==9251== LEAK SUMMARY: ==9251== definitely lost: 0 bytes in 0 blocks ==9251== indirectly lost: 0 bytes in 0 blocks ==9251== possibly lost: 182,191 bytes in 111 blocks ==9251== still reachable: 5,753,918 bytes in 3,850 blocks ==9251== suppressed: 0 bytes in 0 blocks ==9251== Rerun with --leak-check=full to see details of leaked memory ==9251== ==9251== For counts of detected and suppressed errors, rerun with: -v ==9251== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 2510 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.