!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_Marinica_2007_Fe__MO_466808877130_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 = 95.6030858975 Forces: 1 -1.44939336e+01 -1.49818867e+01 -2.88765604e+01 2 -1.57622366e+01 1.97372233e+01 -7.56366637e+00 3 3.25105275e+01 -2.91364966e+01 -1.08044878e+01 4 -1.58015181e+01 2.52329960e+01 9.86167574e+00 5 3.51970028e+00 -3.39132666e+01 1.19504214e+00 6 1.73278080e+01 1.65652064e+01 -1.56028076e+01 7 1.25707109e+01 -6.13007683e+01 -5.29679668e+01 8 -3.61300315e+01 -2.49743396e+01 -9.87064266e+00 9 -2.47875778e+01 -1.85951674e+01 -3.71984746e+01 10 -1.31552572e+01 4.26009765e+01 -4.17181335e+01 11 -1.05681506e+01 -3.38046296e+01 3.54398349e+01 12 -1.34726412e+01 2.42139202e+01 8.62154353e+00 13 -1.03120162e+01 -3.28530654e+01 -8.29151154e+01 14 1.37065448e+01 2.06621370e+01 -1.15643522e+01 15 7.61998997e+01 -1.67298753e+01 1.54736555e+01 16 1.45478902e+01 6.17476950e+01 3.19949502e+01 17 -3.54822673e+01 -7.94987162e+00 2.93300567e+00 18 1.36994994e+01 1.97427311e+01 3.15059262e+00 19 2.56209754e+01 -2.46224616e+01 1.43110962e+01 20 -1.59826322e+01 2.22793181e+01 1.33911915e+01 21 -3.90724289e+01 -1.50625002e+01 5.31332115e+00 22 3.45356596e+01 4.53667375e+01 4.53668211e+01 23 1.53258082e+01 3.94266033e-01 2.26935762e+01 24 -2.28297300e+00 -5.10335400e+00 3.07832407e+00 25 -1.66413093e+01 -1.72846322e+01 3.03149134e+00 26 -1.67925455e+01 3.88575748e+01 -2.02099199e+01 27 2.15289423e+01 -6.73191217e+01 1.87358851e+01 28 -4.84633021e+01 4.36526777e+01 7.81810319e+00 29 -1.92408473e+01 -1.72087085e+01 1.82897526e+01 30 1.14864122e+01 2.50121531e+01 9.98299787e+00 31 3.62064730e+01 -1.46615905e+01 1.95419473e+01 32 1.96548169e+01 2.94361229e+01 2.90673193e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Fe (Configuration in file "config-T-Fe.xyz") ----------------------------------------------------------------------------------------------------- Energy = 168.287953385 Forces: 1 2.00138548e+01 -3.34430950e+01 -9.96017342e+00 2 -4.09435111e+01 8.25218651e+00 3.44453217e+01 3 4.27998510e+01 -2.87832116e+00 -5.10820183e+00 4 -3.50815352e+00 2.77220060e+01 5.17576705e-01 5 1.14952590e+01 -1.64452426e+01 6.01098472e+00 6 -1.19233102e+01 6.18436195e+01 2.13199254e+01 7 5.31549629e+00 -5.70481445e+01 -5.68395218e+01 8 -3.56466584e+01 -2.51635021e+01 -1.04096740e+01 9 -4.77700123e+01 -5.50805435e+01 3.49470667e+01 10 -2.98572629e+01 2.88943808e+01 -2.08657334e+01 11 -1.06832251e+01 -3.27340118e+01 3.42349427e+01 12 9.52476099e+00 -2.76417927e+00 1.75361443e+01 13 -7.29057741e+00 -3.43435662e+01 -7.27572697e+01 14 -2.09288517e+01 1.64766092e+01 -2.83818160e+01 15 7.11910513e+01 -1.84558257e+01 1.47159773e+01 16 1.47980382e+01 5.87580386e+01 3.16791298e+01 17 5.79344524e+00 -3.33660559e+01 1.20473751e+01 18 1.39595602e+01 1.97051807e+01 2.81068939e+00 19 2.61239585e+01 2.00082267e+00 1.99552564e+01 20 -1.08819340e+01 3.64146872e+01 -7.49944448e+00 21 -4.01034251e+01 -7.67995126e+00 7.01838643e+00 22 -3.00095404e+00 7.47754235e+01 4.67153461e+01 23 7.36424132e+00 -2.93222214e+01 -2.08449167e+01 24 2.70459090e+01 9.50577863e+00 -3.65315877e+01 25 -8.26777337e+00 -2.16404048e+01 3.35763731e+00 26 -1.38040311e+01 1.85152134e+01 -3.04916532e+01 27 4.89092109e+01 -6.72375972e+01 -2.59527150e+01 28 -5.88041775e+01 6.43475268e+01 -2.70656741e+01 29 -1.87962715e+01 -1.69047675e+01 1.85901610e+01 30 -5.06294784e+00 1.58343278e+01 1.84625025e+01 31 3.45492130e+01 -1.50193860e+01 1.87747533e+01 32 2.83892274e+01 2.64810145e+01 9.56920446e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==1700== Memcheck, a memory error detector ==1700== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==1700== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==1700== Command: python runner2.py EAM_Dynamo_Marinica_2007_Fe__MO_466808877130_000 ==1700== ==1700== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==1700== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==1700== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==1700== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==1700== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==1700== by 0x4010732: call_init (dl-init.c:72) ==1700== by 0x4010732: _dl_init (dl-init.c:119) ==1700== by 0x40151FE: dl_open_worker (dl-open.c:522) ==1700== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==1700== by 0x40147C9: _dl_open (dl-open.c:605) ==1700== by 0x544CF95: dlopen_doit (dlopen.c:66) ==1700== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==1700== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==1700== by 0x544D734: _dlerror_run (dlerror.c:162) ==1700== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==1700== ==1700== ==1700== HEAP SUMMARY: ==1700== in use at exit: 56,055,647 bytes in 3,960 blocks ==1700== total heap usage: 114,082 allocs, 110,122 frees, 115,723,813 bytes allocated ==1700== ==1700== LEAK SUMMARY: ==1700== definitely lost: 0 bytes in 0 blocks ==1700== indirectly lost: 0 bytes in 0 blocks ==1700== possibly lost: 182,191 bytes in 111 blocks ==1700== still reachable: 55,873,456 bytes in 3,849 blocks ==1700== suppressed: 0 bytes in 0 blocks ==1700== Rerun with --leak-check=full to see details of leaked memory ==1700== ==1700== For counts of detected and suppressed errors, rerun with: -v ==1700== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 2506 from 169) ================================================================================ 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.