!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_ZhouJohnsonWadley_2004_W__MO_524392058194_005 Supported species : W random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = W (Configuration in file "config-F-W.xyz") ----------------------------------------------------------------------------------------------------- Energy = 329.357090509 Forces: 1 -1.54327749e+01 -3.19213571e+01 -3.32205286e+01 2 -3.38644793e+01 5.54109027e+01 -3.94584491e+01 3 5.40768767e+00 -2.14072219e+01 9.99481973e+00 4 -1.98438535e+01 2.33611536e+01 2.01559372e+01 5 4.93281642e+01 -7.29343325e+01 -1.22367527e+01 6 1.56373862e+01 5.63050934e+00 -2.57785755e+01 7 2.21349203e+01 -1.05733491e+02 -9.88182246e+01 8 -5.63937446e+01 -4.04742813e+01 2.21280283e+00 9 -4.39834473e+01 -2.52570251e+01 -6.60992915e+01 10 -1.72922589e+01 7.34712598e+01 -7.39464093e+01 11 -2.51581087e+01 -5.88032294e+01 5.01942861e+01 12 -3.55794591e+01 4.44013527e+01 1.94132387e+01 13 -2.03696369e+01 -4.42074579e+01 -1.53321193e+02 14 2.93872427e+01 3.63420181e+01 -2.68628845e+01 15 1.31060935e+02 -3.55138889e+01 2.39446983e+01 16 1.23403860e+01 1.07301157e+02 5.05579332e+01 17 -6.58103115e+01 -4.58738421e+01 -2.31691804e+01 18 5.15370235e+01 6.67128558e+01 -6.32627906e+01 19 2.35848315e+01 -7.67191019e+01 4.82357449e+01 20 -5.44347746e+01 2.62544396e+01 6.10333046e+01 21 -4.67045999e+01 -3.55784995e+01 2.36095116e+01 22 7.18299150e+01 8.24469856e+01 8.00465096e+01 23 1.67218947e+01 -7.44492346e+00 2.39805030e+01 24 1.91015267e+01 1.79065523e+01 2.52730297e+01 25 -4.24420640e+01 -2.51468859e+01 -1.46771414e+01 26 -1.93269760e+01 7.04601026e+01 -3.64010175e+01 27 5.11842358e+01 -1.14626363e+02 5.28221651e+01 28 -9.99002098e+01 8.95164584e+01 2.53166963e+01 29 -2.99199335e+01 -4.29332935e+01 2.65191975e+01 30 3.81281318e+01 5.87939977e+01 3.07518989e+01 31 5.64648713e+01 -2.64342464e+01 3.75942860e+01 32 3.26074797e+01 5.29996962e+01 5.55958752e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==8936== Memcheck, a memory error detector ==8936== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==8936== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==8936== Command: python runner2.py EAM_Dynamo_ZhouJohnsonWadley_2004_W__MO_524392058194_005 ==8936== ==8936== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==8936== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==8936== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==8936== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==8936== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==8936== by 0x4010732: call_init (dl-init.c:72) ==8936== by 0x4010732: _dl_init (dl-init.c:119) ==8936== by 0x40151FE: dl_open_worker (dl-open.c:522) ==8936== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==8936== by 0x40147C9: _dl_open (dl-open.c:605) ==8936== by 0x544CF95: dlopen_doit (dlopen.c:66) ==8936== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==8936== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==8936== by 0x544D734: _dlerror_run (dlerror.c:162) ==8936== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==8936== ==8936== ==8936== HEAP SUMMARY: ==8936== in use at exit: 5,904,227 bytes in 3,958 blocks ==8936== total heap usage: 110,779 allocs, 106,821 frees, 59,270,665 bytes allocated ==8936== ==8936== LEAK SUMMARY: ==8936== definitely lost: 0 bytes in 0 blocks ==8936== indirectly lost: 0 bytes in 0 blocks ==8936== possibly lost: 182,191 bytes in 111 blocks ==8936== still reachable: 5,722,036 bytes in 3,847 blocks ==8936== suppressed: 0 bytes in 0 blocks ==8936== Rerun with --leak-check=full to see details of leaked memory ==8936== ==8936== For counts of detected and suppressed errors, rerun with: -v ==8936== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 2509 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.