!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Ni__MO_758825945924_002 Supported species : Ni random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Ni (Configuration in file "config-F-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = 73.3595128896 Forces: 1 -3.89803927e+00 -8.85351561e+00 -9.46745192e+00 2 -5.77289147e+00 7.79249434e+00 -6.09927222e+00 3 6.84075402e+00 -1.50919824e+01 -8.59237907e+00 4 -7.62708082e+00 7.03401951e+00 4.44174842e+00 5 3.17885884e+00 -1.39361116e+01 -1.97629326e+00 6 6.91098575e+00 4.73680378e+00 -6.78681620e+00 7 5.74837447e+00 -2.82557352e+01 -2.55116412e+01 8 -1.42389000e+01 -1.14342553e+01 -1.14608699e+00 9 -1.19011014e+01 -8.14932487e+00 -1.85345971e+01 10 -4.04593324e+00 2.08939164e+01 -2.04881342e+01 11 -4.07042546e+00 -1.62626743e+01 1.19881940e+01 12 -1.04568929e+01 1.55484719e+01 3.09044267e+00 13 -5.59524340e+00 -1.32549716e+01 -4.14393560e+01 14 8.21289395e+00 1.05138966e+01 -6.70314923e+00 15 3.71948065e+01 -4.89888247e+00 1.12431916e+01 16 4.62983803e+00 2.95807919e+01 1.52303799e+01 17 -1.47616139e+01 -7.25092178e+00 -4.47907798e+00 18 4.82855830e+00 1.46876238e+01 7.44550393e+00 19 4.77417279e+00 -1.28213967e+01 6.57174463e+00 20 -5.33089707e+00 9.34610043e+00 6.63704492e+00 21 -1.22732647e+01 -1.10433169e+01 7.55896088e+00 22 1.91935809e+01 2.46831658e+01 1.56630113e+01 23 4.24553568e+00 -2.40571353e+00 1.05702882e+01 24 3.09157771e+00 7.30591466e+00 4.62440135e+00 25 -9.45439656e+00 -9.04927782e+00 7.07402579e+00 26 -5.97141767e+00 1.89508403e+01 -1.08261547e+01 27 1.14266257e+01 -3.32646347e+01 1.06794231e+01 28 -2.64843943e+01 2.20478824e+01 4.79153129e+00 29 -9.45343062e+00 -1.36052354e+01 6.70590043e+00 30 8.55887344e+00 1.45208713e+01 -2.05476932e+00 31 1.40429423e+01 -1.25784262e+01 1.40295148e+01 32 8.45754441e+00 1.45135832e+01 1.57598723e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ni (Configuration in file "config-T-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = 49.9106846616 Forces: 1 1.95249624e+01 -1.87890740e+01 4.67318609e+00 2 -3.26965659e+01 7.86683271e+00 3.75267828e+01 3 5.14047783e+00 -1.49296113e+00 -7.41912815e+00 4 1.28064647e+01 1.23428333e+01 -2.47372759e+00 5 1.02564924e+01 -1.02865043e+01 7.11260302e+00 6 -2.37039617e+01 3.43047453e+01 3.02297557e+01 7 -4.84198605e+00 -2.79043837e+01 -2.57907356e+01 8 -1.33999454e+01 -1.24359037e+01 -2.15282403e+00 9 -2.15992073e+01 -2.14884023e+01 1.29106332e+01 10 -1.01721739e+01 1.40241463e+01 -8.64879607e+00 11 -5.34548161e+00 -1.52556770e+01 1.09374379e+01 12 3.53057774e+00 7.08688081e+00 9.44565679e+00 13 -3.56940967e+00 -1.48186341e+01 -3.47749352e+01 14 -9.05257413e+00 6.94625938e+00 -1.34056187e+01 15 3.01996414e+01 -4.04108662e+00 1.00386402e+01 16 6.81591181e+00 2.43434610e+01 1.41995776e+01 17 9.78511435e+00 -1.70448137e+01 -3.09996551e+00 18 3.92156013e+00 1.31578781e+01 8.09444725e+00 19 3.05221592e+00 1.58217337e+00 4.58597660e+00 20 4.05966519e+01 3.59994068e+01 -7.82592898e+00 21 -1.19659822e+01 -2.47467870e+00 8.59799260e+00 22 -4.12488872e+00 3.59954435e+01 2.07151316e+01 23 -3.77855631e+01 -4.11420216e+01 -2.94074123e+01 24 2.93205607e+01 1.52341884e+01 -4.23647499e+01 25 -2.69872493e+00 -1.09718143e+01 7.18814192e+00 26 -5.07013466e+00 5.15978655e+00 -1.25040137e+01 27 2.28618430e+01 -3.35157363e+01 -1.28449321e+01 28 -2.83526426e+01 2.58232620e+01 -7.65105767e+00 29 -8.26809374e+00 -1.24072388e+01 7.82288100e+00 30 -1.95611589e-01 6.81832532e+00 1.17613586e+00 31 1.14843224e+01 -1.30304555e+01 1.13678575e+01 32 1.35461506e+01 1.04137631e+01 3.74098779e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==1389== Memcheck, a memory error detector ==1389== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==1389== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==1389== Command: python runner2.py Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Ni__MO_758825945924_002 ==1389== ==1389== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==1389== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==1389== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==1389== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==1389== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==1389== by 0x4010732: call_init (dl-init.c:72) ==1389== by 0x4010732: _dl_init (dl-init.c:119) ==1389== by 0x40151FE: dl_open_worker (dl-open.c:522) ==1389== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==1389== by 0x40147C9: _dl_open (dl-open.c:605) ==1389== by 0x544CF95: dlopen_doit (dlopen.c:66) ==1389== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==1389== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==1389== by 0x544D734: _dlerror_run (dlerror.c:162) ==1389== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==1389== ==1389== ==1389== HEAP SUMMARY: ==1389== in use at exit: 4,604,978 bytes in 3,907 blocks ==1389== total heap usage: 119,207 allocs, 115,300 frees, 58,511,386 bytes allocated ==1389== ==1389== LEAK SUMMARY: ==1389== definitely lost: 0 bytes in 0 blocks ==1389== indirectly lost: 0 bytes in 0 blocks ==1389== possibly lost: 182,191 bytes in 111 blocks ==1389== still reachable: 4,422,787 bytes in 3,796 blocks ==1389== suppressed: 0 bytes in 0 blocks ==1389== Rerun with --leak-check=full to see details of leaked memory ==1389== ==1389== For counts of detected and suppressed errors, rerun with: -v ==1389== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 2493 from 162) ================================================================================ 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.