Model Extended KIM ID = === Verification check vc-memory-leak start (2018-12-15 06:09:35) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_FoilesBaskesDaw_1986Universal3_Ag__MO_626948998302_000 Supported species : Ag random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Ag (Configuration in file "config-F-Ag.xyz") ----------------------------------------------------------------------------------------------------- Energy = 209.193443066 Forces: 1 -8.84793429e+00 -1.56039799e+01 -1.67284967e+01 2 -6.73589753e+00 1.01626328e+01 -1.46232085e+01 3 7.59950895e+00 -2.40893981e+01 -9.93510119e+00 4 -1.59001381e+01 8.32980875e+00 4.74406626e+00 5 -2.24853928e+00 -2.55227146e+01 -8.23173261e+00 6 1.61124523e+01 9.65512030e+00 -1.71762121e+01 7 1.70404509e+01 -3.74832936e+01 -2.28625717e+01 8 -1.74720376e+01 -1.47750003e+01 -5.05338488e+00 9 -1.63743139e+01 -1.21033692e+01 -2.81557669e+01 10 -5.19154224e+00 3.04080762e+01 -3.02999950e+01 11 -3.30193854e+00 -2.05210508e+01 3.28367953e+00 12 -2.01791613e+01 2.92521554e+01 1.55002943e+00 13 -4.72238028e+00 -1.99017675e+01 -5.45471482e+01 14 1.51463503e+01 1.85701264e+01 -1.32445865e+01 15 4.99188336e+01 -1.28812876e+01 4.82708645e+00 16 5.88090818e+00 4.55192881e+01 1.58671430e+01 17 -2.65632747e+01 -1.44430816e+01 -6.30642812e+00 18 5.36476326e+00 1.70027911e+01 9.69460344e+00 19 1.23810808e+01 -1.83445512e+01 1.56410360e+01 20 -1.17024606e+01 1.41093494e+01 1.35404028e+01 21 -1.90114587e+01 -1.80492160e+01 1.28468724e+01 22 3.03914894e+01 2.77754069e+01 2.17964523e+01 23 7.20016698e+00 -3.59809168e+00 1.55197016e+01 24 7.98725160e+00 -9.93032408e+00 1.03743224e+01 25 -2.17073970e+01 -1.14200958e+01 2.09547806e+01 26 -9.56096456e+00 3.22513634e+01 -1.33077414e+01 27 1.07612146e+00 -3.29801789e+01 1.72483328e+01 28 -3.39541532e+01 2.68720602e+01 8.77770888e+00 29 -1.02786088e+01 -1.62163932e+01 1.16180929e+01 30 1.73589091e+01 2.52596403e+01 6.13271140e+00 31 2.69128342e+01 -1.32239709e+01 1.99022472e+01 32 1.33810797e+01 2.59199456e+01 2.61531044e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ag (Configuration in file "config-T-Ag.xyz") ----------------------------------------------------------------------------------------------------- Energy = 389.902363362 Forces: 1 3.51094718e+01 -2.37743420e+01 9.12332847e+00 2 -2.33028574e+01 -8.48952124e-01 2.86735235e+01 3 5.52333305e+00 1.32248009e+00 -7.09688677e+00 4 1.63054963e+01 1.70983828e+01 -5.93253070e+00 5 4.46442491e+00 -2.57925043e+00 -5.38557753e+00 6 -3.43048743e+01 4.15652084e+01 1.47717998e+01 7 -2.26528398e+00 -3.05654684e+01 -2.23602079e+01 8 -1.74195684e+01 -1.54361741e+01 -5.46243011e+00 9 -2.42453136e+01 -3.02825207e+01 1.51584507e+01 10 -1.37547403e+01 1.56783581e+01 -1.13135820e+01 11 -4.33122310e+00 -1.97185733e+01 2.55669567e+00 12 5.89304004e+00 1.26875638e+01 6.98417875e+00 13 -1.62760890e+00 -2.10828600e+01 -3.79769336e+01 14 -1.15253887e+01 6.57900902e+00 -1.75727486e+01 15 3.45505884e+01 -1.21666840e+01 3.62318243e+00 16 8.22659983e+00 3.00280579e+01 1.69431908e+01 17 1.19693200e+01 -2.10986322e+01 -6.51590728e+00 18 5.13874548e+00 1.58872261e+01 9.93972360e+00 19 1.19141470e+01 6.83295509e+00 1.05734233e+01 20 2.38786007e+01 4.07752254e+01 -9.82906334e+00 21 -1.86516054e+01 -1.14408405e+00 1.41102928e+01 22 -4.88835043e+00 4.12129828e+01 2.71778056e+01 23 -3.07917266e+01 -3.36526941e+01 -2.24345182e+01 24 2.76471459e+01 2.80411599e+00 -2.90544035e+01 25 -6.98313621e+00 -1.55062114e+01 2.07923594e+01 26 -7.44780998e+00 7.35563079e+00 -1.60172996e+01 27 1.43364810e+01 -3.34715257e+01 -1.57531558e+01 28 -3.22721962e+01 2.50765834e+01 -1.13856639e+01 29 -9.57217082e+00 -1.54667203e+01 1.23200414e+01 30 -1.08068814e+00 9.14582694e+00 1.26397810e+01 31 1.99977942e+01 -1.55638380e+01 1.27530060e+01 32 1.95093540e+01 1.83089241e+01 5.95012552e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==31436== Memcheck, a memory error detector ==31436== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==31436== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==31436== Command: python runner2.py EAM_Dynamo_FoilesBaskesDaw_1986Universal3_Ag__MO_626948998302_000 ==31436== ==31436== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==31436== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==31436== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==31436== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==31436== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==31436== by 0x4010732: call_init (dl-init.c:72) ==31436== by 0x4010732: _dl_init (dl-init.c:119) ==31436== by 0x40151FE: dl_open_worker (dl-open.c:522) ==31436== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==31436== by 0x40147C9: _dl_open (dl-open.c:605) ==31436== by 0x544CF95: dlopen_doit (dlopen.c:66) ==31436== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==31436== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==31436== by 0x544D734: _dlerror_run (dlerror.c:162) ==31436== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==31436== ==31436== ==31436== HEAP SUMMARY: ==31436== in use at exit: 5,109,341 bytes in 3,962 blocks ==31436== total heap usage: 114,195 allocs, 110,233 frees, 58,440,122 bytes allocated ==31436== ==31436== LEAK SUMMARY: ==31436== definitely lost: 0 bytes in 0 blocks ==31436== indirectly lost: 0 bytes in 0 blocks ==31436== possibly lost: 182,191 bytes in 111 blocks ==31436== still reachable: 4,927,150 bytes in 3,851 blocks ==31436== suppressed: 0 bytes in 0 blocks ==31436== Rerun with --leak-check=full to see details of leaked memory ==31436== ==31436== For counts of detected and suppressed errors, rerun with: -v ==31436== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 2501 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. === Verification check vc-memory-leak end (2018-12-15 06:10:05) ===