!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_AcklandWoodingBacon_1995v2_Zr__MO_398441626455_000 Supported species : Zr random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Zr (Configuration in file "config-F-Zr.xyz") ----------------------------------------------------------------------------------------------------- Energy = 333.855164157 Forces: 1 -1.22003623e+01 -4.07824574e+01 -3.13212397e+01 2 -8.17222317e+00 1.20055034e+01 -2.76811744e+01 3 2.98233102e+00 -3.56640920e+01 -1.90699376e+01 4 -2.60125020e+01 2.28104945e+01 2.84056435e+01 5 8.67170747e+00 -3.57563196e+01 -1.39531459e+01 6 2.04770191e+01 -6.72374996e-03 -2.34897135e+01 7 1.38578073e+01 -6.74609914e+01 -5.78119770e+01 8 -3.02232008e+01 -3.01122250e+01 2.51342118e+00 9 -1.02742160e+01 5.01882635e+00 -3.11482147e+01 10 -1.36647313e+01 2.60634999e+01 -4.01999347e+01 11 -1.07957879e+01 -2.45348057e+01 -1.23972969e+01 12 -2.50865544e+01 2.27724638e+01 6.25514682e-01 13 -2.34151778e+01 -8.97565261e+00 -9.29893763e+01 14 1.88020257e+01 1.81667237e+01 -1.41443324e+01 15 8.81612734e+01 1.41730281e+01 2.81081987e+01 16 1.39502810e+01 6.17827402e+01 2.61828882e+01 17 -3.32076519e+01 -1.49259026e+01 9.15074950e-01 18 5.57077400e+00 3.24434409e+01 -1.29434142e-01 19 5.61706956e-02 -3.32480115e+01 3.32349083e+01 20 -1.79928040e+01 4.76827087e+00 1.42495941e+01 21 -1.17161399e+01 -2.70242759e+01 1.80123683e+01 22 4.71962552e+01 4.46790636e+01 5.24825912e+01 23 1.08621452e+01 -7.63433113e+00 1.51230483e+01 24 5.24871994e+00 1.36452865e-01 2.27062031e+01 25 -5.34398477e+01 -1.15797528e+01 1.50974543e+00 26 2.09459045e+00 5.30713108e+01 -9.61163697e+00 27 3.25046625e+01 -6.52215058e+01 3.12053044e+01 28 -6.86588410e+01 6.06629923e+01 2.02309283e+01 29 -3.91814323e-01 -1.88566767e+01 1.47118779e+01 30 2.46773560e+01 2.99719732e+01 -5.21556470e+00 31 3.24119525e+01 -1.81273449e+01 3.31563534e+01 32 1.77267831e+01 3.13842843e+01 3.57893149e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Zr (Configuration in file "config-T-Zr.xyz") ----------------------------------------------------------------------------------------------------- Energy = 746.645092678 Forces: 1 4.14410443e+01 -4.81527892e+01 -6.23709092e+00 2 -6.27010327e+01 5.98629714e+00 6.35549480e+01 3 1.37598527e+00 -3.19772242e+00 -1.53903263e+01 4 2.32072034e+01 3.37456141e+01 4.35482157e+01 5 1.55959774e+01 -4.80635301e+00 7.06742889e-02 6 -5.77248996e+01 3.81554181e+01 -1.17741018e+01 7 -1.13154609e+01 -5.21450313e+01 -5.35466013e+01 8 -3.40998244e+01 -2.89163651e+01 6.30335970e+00 9 -1.85671340e+01 -7.45653975e+00 2.32767222e+01 10 -2.00132963e+01 7.10828078e-01 -1.51705833e+01 11 -9.60482580e+00 -2.67842382e+01 -1.15818920e+01 12 3.12225722e+01 -3.82446843e+00 3.13803026e+01 13 -2.21503446e+01 -1.29353004e+01 -6.99126420e+01 14 -3.69907192e+01 3.59866132e+00 -2.78856267e+01 15 6.63025412e+01 1.38453441e+01 3.18549562e+01 16 1.51334500e+01 3.63729421e+01 2.87414516e+01 17 2.00514397e+01 -2.66983238e+01 7.85008088e-01 18 8.40621919e+00 3.70833815e+01 -2.39630576e+00 19 3.91307549e+00 1.99514589e+00 1.93569456e+01 20 4.39864280e+00 1.24657947e+01 -1.90003872e+01 21 -1.39449291e+01 3.72108267e-01 1.79639413e+01 22 -1.02732864e+00 7.99207300e+01 4.98498338e+01 23 -1.34260888e+01 -1.80205033e+01 -1.66244635e+01 24 6.18014029e+01 1.32451505e+01 -7.08988608e+01 25 -2.30180459e+01 -2.56093760e+01 -1.16054462e+00 26 7.67941029e+00 1.76519011e+01 -1.40241996e+01 27 5.47992808e+01 -6.12281422e+01 -1.87599730e+01 28 -5.93438140e+01 4.35959244e+01 3.90289365e+00 29 -1.15442084e+00 -2.10686453e+01 1.42125652e+01 30 -5.00813880e+00 8.71679963e+00 -7.05645719e+00 31 1.40566496e+01 -2.16360817e+01 1.69420515e+01 32 2.07054088e+01 1.50178391e+01 9.67618654e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==28797== Memcheck, a memory error detector ==28797== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==28797== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==28797== Command: python runner2.py EAM_Dynamo_AcklandWoodingBacon_1995v2_Zr__MO_398441626455_000 ==28797== ==28797== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==28797== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==28797== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==28797== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==28797== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==28797== by 0x4010732: call_init (dl-init.c:72) ==28797== by 0x4010732: _dl_init (dl-init.c:119) ==28797== by 0x40151FE: dl_open_worker (dl-open.c:522) ==28797== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==28797== by 0x40147C9: _dl_open (dl-open.c:605) ==28797== by 0x544CF95: dlopen_doit (dlopen.c:66) ==28797== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==28797== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==28797== by 0x544D734: _dlerror_run (dlerror.c:162) ==28797== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==28797== ==28797== ==28797== HEAP SUMMARY: ==28797== in use at exit: 9,973,485 bytes in 3,961 blocks ==28797== total heap usage: 114,082 allocs, 110,121 frees, 63,881,081 bytes allocated ==28797== ==28797== LEAK SUMMARY: ==28797== definitely lost: 0 bytes in 0 blocks ==28797== indirectly lost: 0 bytes in 0 blocks ==28797== possibly lost: 182,191 bytes in 111 blocks ==28797== still reachable: 9,791,294 bytes in 3,850 blocks ==28797== suppressed: 0 bytes in 0 blocks ==28797== Rerun with --leak-check=full to see details of leaked memory ==28797== ==28797== For counts of detected and suppressed errors, rerun with: -v ==28797== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 2504 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.