!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_Magnetic2GQuintic_ChiesaDerletDudarev_2011_Fe__MO_140444321607_002 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 = -299.305180389 Forces: 1 -9.67852953e+00 -7.43744591e+00 -1.30505762e+01 2 -9.76437955e+00 1.81581709e+01 -8.26442813e+00 3 3.30537329e+00 -6.94362672e+00 1.41491719e+01 4 -5.83408783e+00 7.02350664e+00 7.41692116e+00 5 1.64853416e+01 -1.82602121e+01 -4.84235054e+00 6 6.18112404e+00 6.94072637e-01 -8.43026568e+00 7 5.92878222e+00 -2.78932327e+01 -2.70436387e+01 8 -1.81280541e+01 -1.77978113e+01 7.65876934e+00 9 -6.82108762e+00 -9.19260470e+00 -1.40272161e+01 10 -6.48347343e+00 1.50412926e+01 -1.84610864e+01 11 -8.37128512e+00 -1.31240369e+01 6.10356835e+00 12 -7.90302172e+00 1.09542744e+01 6.89902129e+00 13 -1.14983892e+01 -1.06353505e+01 -5.01563446e+01 14 7.83636584e+00 1.07376501e+01 -6.77653182e+00 15 4.36123674e+01 -7.60926272e+00 1.15872576e+01 16 5.56161937e+00 3.63836080e+01 1.60043814e+01 17 -1.20970725e+01 -7.82971230e+00 -9.45509878e+00 18 8.32503915e+00 1.32715666e+01 -1.29412390e+01 19 9.40788589e+00 -1.54936017e+01 1.27549532e+01 20 -8.19813278e+00 8.78150300e+00 9.82563299e+00 21 -1.87838676e+01 -7.34467173e+00 1.85608963e+00 22 1.59422433e+01 2.34469011e+01 2.00924219e+01 23 7.19173802e+00 -7.23813018e-01 1.12407971e+01 24 -1.73636192e-01 -3.16705808e+00 4.10755899e+00 25 -1.23668303e+01 -8.74665098e+00 -4.50093295e+00 26 -6.42219197e+00 1.99247749e+01 -1.00871732e+01 27 1.23994756e+01 -3.25244202e+01 1.49449214e+01 28 -2.59956194e+01 2.40155470e+01 6.15372424e+00 29 -8.40294083e+00 -1.58689682e+01 7.33831204e+00 30 7.76429756e+00 1.42817077e+01 4.94438380e+00 31 1.76312622e+01 -6.80427552e+00 1.07895980e+01 32 9.34968422e+00 1.46821796e+01 1.41693978e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Fe (Configuration in file "config-T-Fe.xyz") ----------------------------------------------------------------------------------------------------- Energy = -264.587347772 Forces: 1 2.99499393e+00 -1.28966342e+01 -4.23151787e+00 2 -2.76276904e+01 1.67310632e+01 1.23324945e+01 3 6.48857604e-01 9.49579254e+00 2.43587736e+01 4 1.39449138e+00 9.63326295e+00 3.50546613e+00 5 3.14633636e+01 -3.54872907e+00 -4.91617174e+00 6 -5.14449872e+00 2.03613152e+01 1.05606709e+01 7 -1.18684319e-01 -2.87530359e+01 -3.50744042e+01 8 -1.86570047e+01 -1.76557965e+01 8.04123180e+00 9 -2.16405988e+01 -2.76922434e+01 2.27125129e+01 10 -1.79124102e+01 -5.02683103e+00 -1.56437557e+01 11 -8.22964266e+00 -1.41504708e+01 6.25162629e+00 12 7.69036257e+00 2.95702274e+00 1.52691680e+01 13 -9.20387337e+00 -1.31291870e+01 -4.41577520e+01 14 -1.11295155e+01 8.89714466e+00 -1.58907148e+01 15 4.14147872e+01 -9.94417817e+00 1.19364215e+01 16 1.00185837e+01 3.20149866e+01 1.96782807e+01 17 1.24794764e+01 -2.11195103e+01 -4.91961276e+00 18 8.96398864e+00 1.38919980e+01 -1.32645724e+01 19 9.24949272e+00 -8.27998879e-01 1.41485846e+01 20 5.06429049e+00 2.04261281e+01 -2.44822362e+00 21 -2.16493856e+01 -2.39920359e+00 4.75975505e+00 22 -3.10988585e+00 4.45951337e+01 2.24067574e+01 23 -5.08519870e+00 -1.89400190e+01 -3.00043014e+00 24 1.35038478e+01 5.05065041e+00 -2.02375320e+01 25 -8.63835732e+00 -1.27364939e+01 -5.12251427e+00 26 -6.26524567e+00 1.08863854e+01 -1.85357313e+01 27 3.02123788e+01 -3.95428667e+01 -1.08331850e+01 28 -3.60494400e+01 3.56696515e+01 -8.65544305e+00 29 -7.72651662e+00 -1.67215518e+01 7.19872145e+00 30 -1.47797794e+00 7.78515367e+00 9.48858615e+00 31 1.73329322e+01 -7.80238732e+00 9.60543383e+00 32 1.72340795e+01 1.44914491e+01 4.67707604e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==11831== Memcheck, a memory error detector ==11831== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==11831== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==11831== Command: python runner2.py EAM_Magnetic2GQuintic_ChiesaDerletDudarev_2011_Fe__MO_140444321607_002 ==11831== ==11831== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==11831== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==11831== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==11831== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==11831== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==11831== by 0x4010732: call_init (dl-init.c:72) ==11831== by 0x4010732: _dl_init (dl-init.c:119) ==11831== by 0x40151FE: dl_open_worker (dl-open.c:522) ==11831== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==11831== by 0x40147C9: _dl_open (dl-open.c:605) ==11831== by 0x544CF95: dlopen_doit (dlopen.c:66) ==11831== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==11831== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==11831== by 0x544D734: _dlerror_run (dlerror.c:162) ==11831== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==11831== Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions ==11831== ==11831== HEAP SUMMARY: ==11831== in use at exit: 4,434,568 bytes in 3,895 blocks ==11831== total heap usage: 112,833 allocs, 108,938 frees, 57,662,390 bytes allocated ==11831== ==11831== LEAK SUMMARY: ==11831== definitely lost: 0 bytes in 0 blocks ==11831== indirectly lost: 0 bytes in 0 blocks ==11831== possibly lost: 182,191 bytes in 111 blocks ==11831== still reachable: 4,252,377 bytes in 3,784 blocks ==11831== suppressed: 0 bytes in 0 blocks ==11831== Rerun with --leak-check=full to see details of leaked memory ==11831== ==11831== For counts of detected and suppressed errors, rerun with: -v ==11831== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 2510 from 172) ================================================================================ 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.