!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_ChamatiPapanicolaouMishin_2006_Fe__MO_960699513424_000 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 = 8243.10753116 Forces: 1 -5.52590227e+02 -2.03010778e+03 -2.55488894e+03 2 -5.08326603e+03 3.75610273e+03 -6.10980539e+02 3 7.43893380e+02 -9.72122984e+02 6.35152497e+02 4 -4.03709999e+02 2.71349330e+03 2.15246694e+03 5 5.26360510e+03 -3.50607994e+03 3.02231414e+02 6 3.37536255e+01 2.89250782e+01 -1.45181210e+01 7 -9.89689896e+02 -2.46014440e+03 -2.88468894e+03 8 -2.00254897e+02 -1.37472760e+03 -8.58648127e+02 9 1.48484444e+03 -5.24915727e+03 -6.34467969e+03 10 -2.71831840e+02 3.46426842e+02 -4.77755751e+02 11 1.04347459e+02 -3.14254855e+02 -1.33829903e+02 12 -1.74533848e+03 5.32431858e+03 6.11105164e+03 13 -1.65825674e+03 -1.17437947e+03 -2.58051412e+03 14 3.34789384e+02 4.08394931e+02 -1.61516597e+02 15 2.55839225e+03 2.64608744e+02 1.77186439e+03 16 -2.66405905e+02 1.01656224e+03 1.05120775e+03 17 -6.16249649e+03 -1.11693061e+03 -5.47383257e+03 18 8.08035803e+02 2.44686638e+03 -2.26027997e+03 19 1.07908577e+04 -7.08788376e+03 5.23806310e+03 20 -5.45659970e+03 5.78495791e+03 2.54961819e+03 21 -2.13711796e+02 -1.00388262e+02 1.26430153e+02 22 1.26642643e+03 2.85482999e+03 2.02250411e+03 23 4.39948187e+01 -3.65889112e+02 7.62090529e+02 24 -3.19001510e+01 4.03183759e+01 2.75789634e+01 25 -1.65137514e+03 -1.60795736e+03 -6.49653662e+02 26 2.81161111e+03 1.21500497e+04 -1.02618595e+04 27 1.20527192e+03 -1.31345427e+04 1.03086435e+04 28 -3.11375916e+03 2.47746079e+03 8.68809828e+02 29 -4.31732601e+02 5.33850055e+02 6.64516554e+02 30 3.30973832e+02 2.16434752e+03 -2.06942937e+03 31 6.70469540e+02 -2.51528882e+03 2.23191540e+03 32 -2.18347718e+02 6.98341743e+02 5.12930816e+02 MONOATOMIC STRUCTURE (pbc=True)-- Species = Fe (Configuration in file "config-T-Fe.xyz") ----------------------------------------------------------------------------------------------------- Energy = 8568.54892135 Forces: 1 -2.58152937e+02 -2.37981501e+03 -2.34145754e+03 2 -5.13483351e+03 3.73481178e+03 -5.50165874e+02 3 7.35362690e+02 -9.45715339e+02 6.47194160e+02 4 -2.93180456e+02 2.71276382e+03 2.13100769e+03 5 5.26554757e+03 -3.58872706e+03 4.46127546e+02 6 -3.36554239e+02 4.94871899e+02 2.67969806e+02 7 -1.01887742e+03 -2.47340726e+03 -2.86673147e+03 8 -1.93844885e+02 -1.37968431e+03 -8.60111202e+02 9 1.47884893e+03 -5.39709144e+03 -6.08723816e+03 10 -2.73977047e+02 3.32942547e+02 -4.73911601e+02 11 9.79809909e+01 -3.07801305e+02 -1.39260776e+02 12 -1.49417392e+03 5.42607655e+03 6.09696459e+03 13 -1.65408107e+03 -1.16663155e+03 -2.58577498e+03 14 2.91585692e+02 4.41318590e+02 -1.51863373e+02 15 2.35019821e+03 1.39389114e+02 1.80782233e+03 16 -2.67272329e+02 1.02213560e+03 1.04776300e+03 17 -5.76894810e+03 -1.37188774e+03 -5.47567156e+03 18 7.90711055e+02 2.41990958e+03 -2.24069579e+03 19 1.07379785e+04 -6.98665033e+03 5.23384250e+03 20 -3.19118423e+03 6.80843443e+03 2.60834262e+03 21 -3.66632169e+02 1.19029877e+02 9.97741573e+01 22 9.89642628e+02 3.07622034e+03 2.00884137e+03 23 -2.25190067e+03 -1.50307230e+03 2.41102623e+02 24 6.57767500e+00 1.26448838e+02 -1.90492231e+02 25 -1.64954264e+03 -1.59123397e+03 -6.42850204e+02 26 2.81011881e+03 1.20773575e+04 -1.02601864e+04 27 1.20992940e+03 -1.31088616e+04 1.02735676e+04 28 -3.08758932e+03 2.62523425e+03 6.35796159e+02 29 -4.30168490e+02 5.43115008e+02 6.73468980e+02 30 4.89797501e+02 1.97468834e+03 -2.05998539e+03 31 6.50922904e+02 -2.53161205e+03 2.18589168e+03 32 -2.34289110e+02 6.57443180e+02 5.20919710e+02 ================================================================================ VALGRIND OUTPUT ================================================================================ ==30977== Memcheck, a memory error detector ==30977== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==30977== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==30977== Command: python runner2.py EAM_Dynamo_ChamatiPapanicolaouMishin_2006_Fe__MO_960699513424_000 ==30977== ==30977== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==30977== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==30977== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==30977== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==30977== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==30977== by 0x4010732: call_init (dl-init.c:72) ==30977== by 0x4010732: _dl_init (dl-init.c:119) ==30977== by 0x40151FE: dl_open_worker (dl-open.c:522) ==30977== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==30977== by 0x40147C9: _dl_open (dl-open.c:605) ==30977== by 0x544CF95: dlopen_doit (dlopen.c:66) ==30977== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==30977== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==30977== by 0x544D734: _dlerror_run (dlerror.c:162) ==30977== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==30977== ==30977== ==30977== HEAP SUMMARY: ==30977== in use at exit: 7,415,549 bytes in 3,962 blocks ==30977== total heap usage: 114,193 allocs, 110,231 frees, 61,018,430 bytes allocated ==30977== ==30977== LEAK SUMMARY: ==30977== definitely lost: 0 bytes in 0 blocks ==30977== indirectly lost: 0 bytes in 0 blocks ==30977== possibly lost: 182,191 bytes in 111 blocks ==30977== still reachable: 7,233,358 bytes in 3,851 blocks ==30977== suppressed: 0 bytes in 0 blocks ==30977== Rerun with --leak-check=full to see details of leaked memory ==30977== ==30977== For counts of detected and suppressed errors, rerun with: -v ==30977== 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.