!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_MendelevHanSrolovitz_2003Potential2_Fe__MO_769582363439_005 Supported species : Fe random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Fe (Configuration in file "config-F-Fe.xyz") ----------------------------------------------------------------------------------------------------- Energy = -12.9527201858 Forces: 1 -5.87390507e+00 -4.84725585e+00 -8.96036533e+00 2 -9.51453644e+00 1.81155169e+01 -5.95879055e+00 3 9.44585509e+00 -8.06745996e+00 -1.11574291e+00 4 -6.44851549e+00 4.99687440e+00 2.42348449e+00 5 1.12301562e+01 -1.88081719e+01 1.99660501e+00 6 2.20036414e+00 1.52072896e+00 -2.88523803e+00 7 1.54555861e+00 -2.80440210e+01 -3.27455228e+01 8 -1.10151713e+01 -8.67682859e+00 -9.12131018e+00 9 -2.83012499e+00 -4.89971275e+00 -8.22294620e+00 10 -6.36218046e+00 8.28876731e+00 -1.44713700e+01 11 -1.92942758e+00 -7.84689207e+00 -5.03387003e-03 12 -5.78101278e+00 1.08945057e+01 1.76584798e+00 13 -1.40928840e+01 -1.23163327e+01 -3.86032105e+01 14 6.99241990e+00 1.16790911e+01 -8.64130727e+00 15 3.02632571e+01 -1.30592957e+01 1.62195601e+01 16 1.62651102e+00 2.22182786e+01 1.75475705e+01 17 -1.61418710e+01 -2.23070778e+00 -5.73034865e+00 18 1.58347484e+00 4.25906315e+00 2.13663464e+00 19 1.37563803e+01 -1.00153907e+01 1.04492599e+01 20 -5.48635884e+00 9.23896265e+00 3.89280793e+00 21 -1.12800318e+01 -9.97074575e+00 8.01844941e+00 22 2.00727396e+01 2.29258770e+01 2.27547359e+01 23 9.70757114e+00 -5.27105868e+00 5.26362629e+00 24 -8.39078336e+00 6.29691079e+00 3.76629100e+00 25 -8.58804680e+00 -6.52143864e+00 6.14567984e+00 26 1.43759992e+00 1.20868384e+01 -7.17963245e+00 27 2.19335344e+01 -3.65076645e+01 7.82346708e+00 28 -3.21540754e+01 2.72412502e+01 3.55139704e+00 29 -7.45086452e+00 2.08132723e+00 9.99799493e+00 30 5.71752038e+00 9.73752321e+00 5.72126280e+00 31 1.03391007e+01 -4.54757039e+00 6.76153368e+00 32 5.48774659e+00 1.00490313e+01 7.40461028e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Fe (Configuration in file "config-T-Fe.xyz") ----------------------------------------------------------------------------------------------------- Energy = 7.32803678731 Forces: 1 1.20281347e+00 -7.42646775e+00 -1.31413805e+00 2 -1.58620504e+01 1.86429133e+01 3.97769288e+00 3 1.17896065e+01 2.68014038e+00 8.13217185e-01 4 -1.96192671e+00 5.53292822e+00 3.72387335e-01 5 1.80651174e+01 -6.80894714e+00 3.30902903e+00 6 -3.99727341e+00 2.42998207e+01 2.87164284e+01 7 -2.46824934e+00 -2.36408365e+01 -3.34254799e+01 8 -1.03368846e+01 -8.95542612e+00 -9.55532018e+00 9 -6.27985988e+00 -1.60122155e+01 8.12513766e+00 10 -1.39880167e+01 -3.80356189e+00 -8.18048460e+00 11 -2.25701395e+00 -6.99172941e+00 -5.30660468e-01 12 2.18870513e+01 -6.76112845e-01 1.45809678e+01 13 -1.32908698e+01 -1.31735044e+01 -3.44283540e+01 14 -2.36500740e+01 1.26111254e+01 -2.48141576e+01 15 2.61350023e+01 -1.38834214e+01 1.60630535e+01 16 2.25371245e+00 1.87954690e+01 1.76660166e+01 17 2.16779774e+00 -1.41623889e+01 -2.97308645e+00 18 1.37931846e+00 3.96239033e+00 2.50938165e+00 19 1.70380302e+01 2.08602809e+00 8.01477421e+00 20 1.57799939e+01 2.40792130e+01 -3.10863369e+00 21 -1.13452883e+01 -5.94407989e+00 9.00495698e+00 22 3.01740922e+00 3.63253761e+01 2.01052754e+01 23 -1.01671152e+01 -3.71819912e+01 -2.11412899e+01 24 -4.78095536e+00 8.04233148e+00 -1.09433064e+01 25 -5.08810049e+00 -7.14188060e+00 6.79271571e+00 26 2.80744797e+00 5.15350204e+00 -8.28690694e+00 27 2.64927822e+01 -3.69665911e+01 -5.93065083e-01 28 -3.52365475e+01 2.77099875e+01 -6.56478300e+00 29 -6.86167629e+00 2.53390525e+00 1.01121436e+01 30 1.00896885e+00 5.14933076e+00 8.72270593e+00 31 8.71360635e+00 -4.10879552e+00 5.27852326e+00 32 7.83324356e+00 9.27348871e+00 1.69525914e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==2539== Memcheck, a memory error detector ==2539== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==2539== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==2539== Command: python runner2.py EAM_Dynamo_MendelevHanSrolovitz_2003Potential2_Fe__MO_769582363439_005 ==2539== ==2539== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==2539== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==2539== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==2539== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==2539== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==2539== by 0x4010732: call_init (dl-init.c:72) ==2539== by 0x4010732: _dl_init (dl-init.c:119) ==2539== by 0x40151FE: dl_open_worker (dl-open.c:522) ==2539== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==2539== by 0x40147C9: _dl_open (dl-open.c:605) ==2539== by 0x544CF95: dlopen_doit (dlopen.c:66) ==2539== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==2539== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==2539== by 0x544D734: _dlerror_run (dlerror.c:162) ==2539== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==2539== ==2539== ==2539== HEAP SUMMARY: ==2539== in use at exit: 9,969,251 bytes in 3,960 blocks ==2539== total heap usage: 114,082 allocs, 110,122 frees, 63,877,577 bytes allocated ==2539== ==2539== LEAK SUMMARY: ==2539== definitely lost: 0 bytes in 0 blocks ==2539== indirectly lost: 0 bytes in 0 blocks ==2539== possibly lost: 182,191 bytes in 111 blocks ==2539== still reachable: 9,787,060 bytes in 3,849 blocks ==2539== suppressed: 0 bytes in 0 blocks ==2539== Rerun with --leak-check=full to see details of leaked memory ==2539== ==2539== For counts of detected and suppressed errors, rerun with: -v ==2539== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 2509 from 171) ================================================================================ 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.