!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_AdamsFoiles_1989Universal6_Cu__MO_145873824897_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 = -4.00465517952 Forces: 1 -2.57801027e+00 -6.10568135e+00 -6.49275542e+00 2 -8.11412610e+00 1.21508609e+01 -7.74670143e+00 3 5.76390157e-01 -8.14609965e+00 -1.55436758e+00 4 -3.63522544e+00 3.79728678e+00 3.77607202e+00 5 1.00987519e+01 -1.57971398e+01 -1.35633257e+00 6 2.70294042e+00 1.52216467e+00 -4.84540492e+00 7 3.66693655e+00 -2.12489201e+01 -2.00088445e+01 8 -7.63250252e+00 -8.90998448e+00 8.24817335e-01 9 -9.56977677e+00 -5.52572078e+00 -1.38981932e+01 10 -3.58330500e+00 1.58189584e+01 -1.54768584e+01 11 -2.34956903e+00 -1.25024868e+01 1.01871188e+01 12 -7.32661481e+00 1.30194432e+01 -1.39221075e-01 13 -3.71893136e+00 -7.21605452e+00 -3.29371124e+01 14 5.13157145e+00 6.93831999e+00 -4.19995323e+00 15 2.80092872e+01 -3.65847047e+00 9.08305907e+00 16 3.78024286e+00 2.13785261e+01 1.16337539e+01 17 -8.15243924e+00 -3.23597254e+00 -3.43827124e+00 18 -2.87513590e+00 7.48488488e+00 3.27128681e+00 19 4.43024194e+00 -6.36169282e+00 4.90159342e+00 20 -2.69288809e+00 5.91216726e+00 3.76445738e+00 21 -8.13452942e+00 -7.90777869e+00 6.32242927e+00 22 1.27951432e+01 1.81928174e+01 1.57449539e+01 23 2.31791679e+00 -7.26510032e-01 4.30102132e+00 24 1.86162991e+00 7.96525666e-01 3.30453533e+00 25 -5.18822659e+00 -7.70538125e+00 9.66543120e+00 26 -5.37760762e+00 1.30067769e+01 -7.57442288e+00 27 7.99461015e+00 -2.45857392e+01 6.83648793e+00 28 -1.97004069e+01 1.64097649e+01 2.48649414e+00 29 -5.83743425e+00 -9.47762839e+00 3.15749047e+00 30 5.48452164e+00 9.70822457e+00 2.78162782e-01 31 1.10241042e+01 -7.60380488e+00 9.07064133e+00 32 6.59244082e+00 1.05783442e+01 1.10586324e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Cu (Configuration in file "config-T-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 37.5378034746 Forces: 1 1.53721865e+01 -1.34615228e+01 3.96343884e+00 2 -2.55069964e+01 8.94915818e+00 1.84335203e+01 3 1.20125520e-01 8.25584946e-01 -5.49491797e-01 4 1.03022042e+01 8.20269054e+00 -1.19617012e+00 5 1.72273784e+01 -3.51887185e+00 7.46196374e-01 6 -1.86862666e+01 1.96187134e+01 7.75532117e+00 7 -3.22741930e+00 -2.06960603e+01 -2.01333084e+01 8 -7.32827993e+00 -9.00367294e+00 4.93913900e-01 9 -1.71993379e+01 -1.56511902e+01 9.93461837e+00 10 -1.08916953e+01 3.86152415e+00 -8.39856937e+00 11 -2.53195852e+00 -1.18223781e+01 9.64192287e+00 12 3.33718299e+00 7.35108423e+00 4.65349851e+00 13 -2.97524778e+00 -8.11937822e+00 -2.74522633e+01 14 -7.93020661e+00 4.96916947e+00 -8.86661625e+00 15 2.24455744e+01 -3.59618179e+00 8.32355728e+00 16 5.17299993e+00 1.64315650e+01 1.17833180e+01 17 1.01862556e+01 -1.06225023e+01 -3.93079906e+00 18 -3.06774386e+00 7.05010882e+00 3.35658380e+00 19 4.20277415e+00 3.14560850e+00 4.20265336e+00 20 1.32729207e+01 1.98239046e+01 -6.21871111e+00 21 -8.32610525e+00 -2.50270023e+00 6.51929825e+00 22 -4.44252656e+00 2.72077303e+01 1.88221145e+01 23 -1.49240889e+01 -1.96059394e+01 -8.86587790e+00 24 2.01246709e+01 6.52477332e+00 -2.23679789e+01 25 -4.36368089e-01 -9.22372615e+00 9.64146732e+00 26 -4.47764901e+00 3.37873202e+00 -9.45608374e+00 27 1.76477212e+01 -2.46007493e+01 -1.05634783e+01 28 -2.07637416e+01 1.91366980e+01 -6.99578060e+00 29 -5.56193300e+00 -8.90848605e+00 3.20675168e+00 30 -4.65019153e-01 4.26860584e+00 2.33542008e+00 31 9.74489769e+00 -8.26543276e+00 7.55137759e+00 32 9.58569156e+00 8.85314117e+00 3.63015661e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==29632== Memcheck, a memory error detector ==29632== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==29632== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==29632== Command: python runner2.py EAM_Dynamo_AdamsFoiles_1989Universal6_Cu__MO_145873824897_000 ==29632== ==29632== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==29632== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==29632== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==29632== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==29632== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==29632== by 0x4010732: call_init (dl-init.c:72) ==29632== by 0x4010732: _dl_init (dl-init.c:119) ==29632== by 0x40151FE: dl_open_worker (dl-open.c:522) ==29632== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==29632== by 0x40147C9: _dl_open (dl-open.c:605) ==29632== by 0x544CF95: dlopen_doit (dlopen.c:66) ==29632== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==29632== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==29632== by 0x544D734: _dlerror_run (dlerror.c:162) ==29632== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==29632== ==29632== ==29632== HEAP SUMMARY: ==29632== in use at exit: 5,094,181 bytes in 3,961 blocks ==29632== total heap usage: 113,724 allocs, 109,763 frees, 58,398,867 bytes allocated ==29632== ==29632== LEAK SUMMARY: ==29632== definitely lost: 0 bytes in 0 blocks ==29632== indirectly lost: 0 bytes in 0 blocks ==29632== possibly lost: 182,191 bytes in 111 blocks ==29632== still reachable: 4,911,990 bytes in 3,850 blocks ==29632== suppressed: 0 bytes in 0 blocks ==29632== Rerun with --leak-check=full to see details of leaked memory ==29632== ==29632== For counts of detected and suppressed errors, rerun with: -v ==29632== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 2505 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.