!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_AgrawalMishraWard_2013_Be__MO_404563086984_000 Supported species : Be random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Be (Configuration in file "config-F-Be.xyz") ----------------------------------------------------------------------------------------------------- Energy = 1.42358010874 Forces: 1 -4.40315132e+00 -6.79032703e+00 -1.08838404e+01 2 -1.00641885e+01 1.23566952e+01 -1.43340204e+00 3 1.19120159e+01 -6.66524419e+00 -4.58922723e+00 4 -1.41751574e+00 1.10598805e+01 5.95112293e+00 5 4.95486011e+00 -1.60940847e+01 1.08091530e+00 6 5.72386447e+00 5.05449558e+00 -2.22833069e+00 7 5.71033846e+00 -2.06860329e+01 -2.97020799e+01 8 -5.25972996e+00 -3.83401352e+00 -1.32328126e+01 9 -1.05582552e+00 -7.58605240e+00 -9.18977950e+00 10 -5.62084413e+00 8.47595478e+00 -1.24052241e+01 11 -1.52674234e+01 -1.22508102e+01 1.06488494e+01 12 -2.38815852e+00 8.56844796e+00 5.97113193e+00 13 -1.34030736e+00 -1.00645611e+01 -2.88294028e+01 14 3.60095280e+00 9.41798084e+00 -8.69173252e+00 15 1.90929936e+01 -1.81565615e+01 8.83953233e+00 16 2.85625094e+00 1.49813833e+01 1.49040467e+01 17 -1.16217430e+01 -2.04715492e+00 2.41704477e+00 18 3.24868441e+00 6.75456000e+00 -2.24229246e+00 19 7.53872189e+00 -8.45968437e+00 5.12827060e+00 20 -4.40377014e+00 7.23622987e+00 4.14818415e+00 21 -1.20945766e+01 -5.29844904e+00 1.54794650e+01 22 1.07557073e+01 1.46574802e+01 1.33769060e+01 23 1.31713161e+01 -7.56012475e+00 2.47784275e+00 24 -1.21170542e+01 8.85817282e+00 1.07662862e+00 25 -3.73763750e+00 -5.39242320e+00 -2.60689851e+00 26 -4.27942333e-01 8.79546286e+00 -1.08137794e+01 27 2.37935114e+01 -3.47256954e+01 8.02996229e+00 28 -2.85836398e+01 2.65042228e+01 2.46401580e+00 29 -5.59038644e+00 9.79727561e+00 1.26370199e+01 30 1.83277829e+00 1.28077252e+01 1.14205463e+01 31 7.83073841e+00 -6.06944503e+00 3.73026623e+00 32 3.37116029e+00 6.35469668e+00 7.06705116e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Be (Configuration in file "config-T-Be.xyz") ----------------------------------------------------------------------------------------------------- Energy = -12.72026723 Forces: 1 6.23737669e+00 -1.15627361e+01 -2.79949057e+00 2 -1.48959241e+01 8.49131970e+00 7.08453238e+00 3 1.14217414e+01 1.31578955e+00 -1.44613391e+00 4 -3.46952410e-01 7.98970758e+00 2.14545019e+00 5 7.58184534e+00 -8.91789067e+00 2.86289248e+00 6 -8.25700851e+00 2.50180506e+01 3.16654703e+01 7 7.85468076e+00 -1.76044652e+01 -2.80526510e+01 8 -4.57237652e+00 -4.31204306e+00 -1.36212824e+01 9 -4.27898728e+00 -7.52518895e+00 4.55895800e+00 10 -9.65492309e+00 4.44899971e+00 -9.06337866e+00 11 -1.61819374e+01 -1.14556162e+01 9.21669795e+00 12 8.56005753e-01 -2.24840074e+00 4.95362210e+00 13 -5.51098005e-01 -9.59130301e+00 -2.85576006e+01 14 -2.73895998e+00 8.06551261e+00 -1.17093690e+01 15 1.84848618e+01 -1.66378592e+01 7.97948208e+00 16 2.35375350e+00 1.54629315e+01 1.38472273e+01 17 5.33713608e+00 -1.44850536e+01 4.70149039e+00 18 2.20664164e+00 5.26195826e+00 -1.22132202e+00 19 3.73102408e+00 1.95375775e-01 6.52290267e+00 20 6.87881551e+00 1.08008723e+01 -1.36234483e+00 21 -1.17376674e+01 -2.44986222e+00 1.67646490e+01 22 -4.28459660e+00 2.43791779e+01 9.65711832e+00 23 -2.37532132e+00 -2.63878074e+01 -3.12314542e+01 24 3.09992286e+00 6.13306290e+00 -1.07005688e+01 25 -4.05815704e+00 -4.34754290e+00 -3.09154082e+00 26 5.90934941e-01 4.32134543e+00 -1.23649297e+01 27 2.60659720e+01 -3.18468975e+01 3.11268510e+00 28 -2.87591667e+01 2.70039056e+01 -1.54470497e+00 29 -5.17319735e+00 1.02036208e+01 1.30470055e+01 30 3.28123671e+00 1.00225123e+01 1.05660267e+01 31 7.58976971e+00 -5.57641953e+00 4.03941144e+00 32 4.29455491e+00 5.83494372e+00 4.04114948e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==29722== Memcheck, a memory error detector ==29722== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==29722== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==29722== Command: python runner2.py EAM_Dynamo_AgrawalMishraWard_2013_Be__MO_404563086984_000 ==29722== ==29722== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==29722== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==29722== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==29722== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==29722== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==29722== by 0x4010732: call_init (dl-init.c:72) ==29722== by 0x4010732: _dl_init (dl-init.c:119) ==29722== by 0x40151FE: dl_open_worker (dl-open.c:522) ==29722== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==29722== by 0x40147C9: _dl_open (dl-open.c:605) ==29722== by 0x544CF95: dlopen_doit (dlopen.c:66) ==29722== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==29722== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==29722== by 0x544D734: _dlerror_run (dlerror.c:162) ==29722== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==29722== ==29722== ==29722== HEAP SUMMARY: ==29722== in use at exit: 17,646,085 bytes in 3,961 blocks ==29722== total heap usage: 114,193 allocs, 110,232 frees, 72,529,316 bytes allocated ==29722== ==29722== LEAK SUMMARY: ==29722== definitely lost: 0 bytes in 0 blocks ==29722== indirectly lost: 0 bytes in 0 blocks ==29722== possibly lost: 182,191 bytes in 111 blocks ==29722== still reachable: 17,463,894 bytes in 3,850 blocks ==29722== suppressed: 0 bytes in 0 blocks ==29722== Rerun with --leak-check=full to see details of leaked memory ==29722== ==29722== For counts of detected and suppressed errors, rerun with: -v ==29722== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 2505 from 169) ================================================================================ 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.