!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_QuinticClampedSpline_ErcolessiAdams_1994_Al__MO_450093727396_002 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 = -65.4406215674 Forces: 1 -1.02346924e+00 -1.38051120e+00 -2.10957605e+00 2 -1.24640386e+00 2.60751958e+00 -1.31900360e+00 3 1.97429294e+00 -1.31978759e+00 2.08885030e+00 4 -6.14319488e-01 2.24173901e+00 1.69180292e+00 5 1.28079862e+00 -2.14456659e+00 1.45275908e-01 6 6.09360662e-01 1.55974040e+00 -1.32231196e+00 7 1.40174693e+00 -6.28968284e+00 -4.90300857e+00 8 -4.03834137e+00 -2.40718612e+00 -6.69241395e-01 9 -2.16990487e+00 -1.99120537e+00 -3.11441375e+00 10 -1.04898040e+00 3.74288788e+00 -4.03697039e+00 11 -1.09108189e+00 -3.40569703e+00 4.52669650e+00 12 -7.50181786e-01 1.60187219e+00 1.59710083e+00 13 -1.18238641e+00 -3.19808985e+00 -7.85099478e+00 14 5.79652034e-01 1.12160046e+00 -2.53538425e-01 15 7.04791611e+00 -1.22392778e+00 1.78060299e+00 16 1.78752668e+00 5.49472953e+00 3.11797019e+00 17 -1.51555316e+00 -9.33850873e-01 -1.88373245e+00 18 4.11037087e-01 2.84589838e+00 -3.59455507e+00 19 1.81292196e+00 -2.80662517e+00 2.31674349e+00 20 -1.02312697e+00 1.99371926e+00 1.33424422e+00 21 -3.48370078e+00 -1.08704329e+00 1.04936915e+00 22 2.67842301e+00 5.08827810e+00 4.77543496e+00 23 4.53820220e-01 3.68374364e-01 7.78035004e-01 24 8.54589319e-01 -5.47761071e-01 1.17974608e+00 25 -1.92290253e+00 -2.78580857e+00 -2.07228703e+00 26 -1.31633124e+00 3.54757008e+00 -2.68216953e+00 27 2.76819122e+00 -6.73170603e+00 2.85300034e+00 28 -4.66423145e+00 4.87504964e+00 1.22667492e+00 29 -1.90944984e+00 -1.65665723e+00 1.10095708e+00 30 5.10668175e-01 2.03695422e+00 3.64016172e-01 31 3.11621170e+00 -1.80349794e+00 1.70393969e+00 32 1.71320860e+00 2.58767145e+00 2.18134227e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==12806== Memcheck, a memory error detector ==12806== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==12806== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==12806== Command: python runner2.py EAM_QuinticClampedSpline_ErcolessiAdams_1994_Al__MO_450093727396_002 ==12806== ==12806== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==12806== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==12806== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==12806== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==12806== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==12806== by 0x4010732: call_init (dl-init.c:72) ==12806== by 0x4010732: _dl_init (dl-init.c:119) ==12806== by 0x40151FE: dl_open_worker (dl-open.c:522) ==12806== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==12806== by 0x40147C9: _dl_open (dl-open.c:605) ==12806== by 0x544CF95: dlopen_doit (dlopen.c:66) ==12806== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==12806== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==12806== by 0x544D734: _dlerror_run (dlerror.c:162) ==12806== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==12806== ==12806== ==12806== HEAP SUMMARY: ==12806== in use at exit: 5,255,766 bytes in 3,970 blocks ==12806== total heap usage: 114,152 allocs, 110,182 frees, 65,611,479 bytes allocated ==12806== ==12806== LEAK SUMMARY: ==12806== definitely lost: 31,872 bytes in 4 blocks ==12806== indirectly lost: 0 bytes in 0 blocks ==12806== possibly lost: 197,567 bytes in 112 blocks ==12806== still reachable: 5,026,327 bytes in 3,854 blocks ==12806== suppressed: 0 bytes in 0 blocks ==12806== Rerun with --leak-check=full to see details of leaked memory ==12806== ==12806== For counts of detected and suppressed errors, rerun with: -v ==12806== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 2525 from 174) ================================================================================ 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" (Search for the word "lost" in the file to identify memory leaks.) Grade: F Comment: Memory leak detected.