!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_1959LowCutoff_Cu__MO_673777079812_002 Supported species : Cu random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Cu (Configuration in file "config-F-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 84.4924014561 Forces: 1 -3.98310848e+00 -8.16146526e+00 -8.75770727e+00 2 -3.76977578e+00 6.58024688e+00 -6.98249309e+00 3 4.76324835e+00 -1.28877530e+01 -5.83250452e+00 4 -7.35847120e+00 6.11860741e+00 3.87036455e+00 5 -1.48213182e+00 -1.35289884e+01 -3.51604590e+00 6 8.18657650e+00 6.04446714e+00 -8.82303149e+00 7 7.72208566e+00 -2.47082092e+01 -1.76613733e+01 8 -1.19278686e+01 -8.88763681e+00 -2.47880042e+00 9 -8.39032645e+00 -7.49998942e+00 -1.48889400e+01 10 -3.69454175e+00 1.65895905e+01 -1.74252748e+01 11 -3.61194060e+00 -1.28174838e+01 3.77260756e+00 12 -9.98630184e+00 1.39854226e+01 2.75353021e+00 13 -5.93233182e+00 -1.31461457e+01 -3.56157091e+01 14 7.84619761e+00 9.80759943e+00 -6.91722458e+00 15 3.19816680e+01 -8.10101142e+00 5.92742630e+00 16 3.35664835e+00 2.72441272e+01 1.17141439e+01 17 -1.38558042e+01 -7.08947837e+00 -3.97539720e+00 18 4.48358666e+00 1.14624224e+01 6.98994343e+00 19 6.80937089e+00 -8.41827065e+00 7.82315573e+00 20 -4.91268029e+00 8.31416975e+00 6.65181081e+00 21 -1.20746331e+01 -1.11843830e+01 3.45323203e+00 22 1.84153253e+01 1.94052776e+01 1.80537776e+01 23 7.48818182e+00 -4.45083388e+00 5.74710487e+00 24 -4.47625797e+00 6.58414286e+00 5.76182941e+00 25 -1.14056899e+01 -7.48655117e+00 6.98152798e+00 26 -5.05355700e+00 1.81784487e+01 -8.81210809e+00 27 1.01942876e+01 -2.98436171e+01 1.05049748e+01 28 -2.31579804e+01 1.92290883e+01 4.86028213e+00 29 -7.42801913e+00 -1.09629043e+01 8.17506175e+00 30 8.96280134e+00 1.37069211e+01 4.15332804e+00 31 1.43365401e+01 -7.31374302e+00 1.03309784e+01 32 7.95490198e+00 1.32379326e+01 1.41615303e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Cu (Configuration in file "config-T-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 60.6090767893 Forces: 1 2.65391937e+01 -1.69330838e+01 6.54408351e+00 2 -1.08298121e+01 7.98009315e+00 5.66537890e+00 3 3.26166842e+00 1.25514808e-01 -4.69606329e+00 4 1.04336283e+01 1.13724592e+01 -3.32458257e+00 5 1.72574018e+00 -5.25093533e+00 1.97394983e+00 6 -1.90459203e+01 2.84636797e+01 9.22747364e+00 7 -2.65620955e+00 -2.24338998e+01 -1.82470591e+01 8 -1.13530861e+01 -9.72673800e+00 -3.17070220e+00 9 -1.64103394e+01 -1.94066617e+01 1.27702577e+01 10 -9.11111866e+00 9.63638055e+00 -7.55434312e+00 11 -4.66980398e+00 -1.19435309e+01 2.89182295e+00 12 4.99620168e+00 5.86484202e+00 6.22609406e+00 13 -4.33126625e+00 -1.45403883e+01 -2.89692807e+01 14 -7.74892657e+00 2.37207577e+00 -9.17837106e+00 15 2.50382609e+01 -7.26246557e+00 5.01912398e+00 16 5.23663576e+00 1.98441888e+01 1.21434382e+01 17 9.04036555e+00 -1.30729176e+01 -3.94192474e+00 18 3.81132860e+00 1.02195918e+01 7.54379022e+00 19 6.62970620e+00 5.16989288e+00 6.27763174e+00 20 9.22856113e+00 2.11800007e+01 -6.13590852e+00 21 -1.15450169e+01 -3.09770871e+00 4.90143092e+00 22 -2.65278173e+00 2.92356766e+01 2.23411522e+01 23 -9.83532884e+00 -2.00532085e+01 -1.24207571e+01 24 -3.62531809e-01 1.08006232e+01 -1.35345993e+01 25 -4.37958221e+00 -9.46136007e+00 7.66473552e+00 26 -4.10285977e+00 5.15715464e+00 -1.03173111e+01 27 1.99453857e+01 -3.01943461e+01 -1.03292004e+01 28 -2.28589913e+01 1.92396026e+01 -7.31091741e+00 29 -6.39171238e+00 -9.89561054e+00 9.11347825e+00 30 -7.52328089e-01 5.27501802e+00 7.40732687e+00 31 1.13982538e+01 -8.44007153e+00 7.68339155e+00 32 1.17526860e+01 9.77613200e+00 3.73646047e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==18978== Memcheck, a memory error detector ==18978== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==18978== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==18978== Command: python runner2.py Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Cu__MO_673777079812_002 ==18978== ==18978== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==18978== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==18978== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==18978== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==18978== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==18978== by 0x4010732: call_init (dl-init.c:72) ==18978== by 0x4010732: _dl_init (dl-init.c:119) ==18978== by 0x40151FE: dl_open_worker (dl-open.c:522) ==18978== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==18978== by 0x40147C9: _dl_open (dl-open.c:605) ==18978== by 0x544CF95: dlopen_doit (dlopen.c:66) ==18978== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==18978== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==18978== by 0x544D734: _dlerror_run (dlerror.c:162) ==18978== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==18978== ==18978== ==18978== HEAP SUMMARY: ==18978== in use at exit: 4,528,210 bytes in 3,908 blocks ==18978== total heap usage: 116,501 allocs, 112,593 frees, 58,156,541 bytes allocated ==18978== ==18978== LEAK SUMMARY: ==18978== definitely lost: 0 bytes in 0 blocks ==18978== indirectly lost: 0 bytes in 0 blocks ==18978== possibly lost: 182,191 bytes in 111 blocks ==18978== still reachable: 4,346,019 bytes in 3,797 blocks ==18978== suppressed: 0 bytes in 0 blocks ==18978== Rerun with --leak-check=full to see details of leaked memory ==18978== ==18978== For counts of detected and suppressed errors, rerun with: -v ==18978== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 2503 from 173) ================================================================================ 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.