!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_MarinicaVentelonGilbert_2013EAM2_W__MO_204305659515_000 Supported species : W random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = W (Configuration in file "config-F-W.xyz") ----------------------------------------------------------------------------------------------------- Energy = 180.287784383 Forces: 1 -2.24942674e+01 -2.30501095e+01 -3.47771244e+01 2 -2.08234020e+01 3.63975416e+01 -2.29349664e+01 3 8.31921938e+00 -2.34522651e+01 2.27864621e+01 4 -1.62315245e+01 2.05779112e+01 1.51065848e+01 5 1.88034212e+01 -4.62898801e+01 -1.41243280e+01 6 2.42881943e+01 1.26130814e+01 -2.64485247e+01 7 1.05845524e+01 -8.91382122e+01 -7.65163090e+01 8 -3.68245864e+01 -3.38338135e+01 1.29225399e+01 9 -8.09445830e+00 -4.43030112e+01 -4.67828735e+01 10 -8.95308743e+00 3.53562926e+01 -4.78310076e+01 11 -9.59921169e-02 -3.10256979e+01 -4.18271075e+01 12 -3.31951255e+01 4.51736823e+01 3.73089002e+01 13 -4.18680167e+01 -2.82600513e+01 -1.25862519e+02 14 2.20592986e+01 2.86060874e+01 -1.89414872e+01 15 1.10761282e+02 -1.91986290e+01 3.90431240e+01 16 1.48814131e+01 8.51684066e+01 3.70964164e+01 17 -3.13882315e+01 -2.10234676e+01 -2.04254151e+01 18 1.44974784e+01 1.22551856e+01 -8.60830231e-01 19 1.45633623e+01 -3.23621763e+01 2.29322171e+01 20 -1.61982269e+01 2.26067470e+01 2.06572633e+01 21 -3.70433914e+01 -2.98937478e+01 1.34931738e+01 22 5.40271538e+01 7.77734919e+01 6.68140356e+01 23 1.79779392e+01 -8.60868751e+00 1.87460944e+01 24 -5.38646824e-01 1.74328522e+01 1.67638802e+01 25 -6.42409708e+01 -1.01189435e+01 1.99024388e+01 26 -1.56360839e+01 6.22010203e+01 -2.23690905e+01 27 5.02980371e+01 -1.05659840e+02 3.50860637e+01 28 -8.89345106e+01 7.83013268e+01 1.53814008e+01 29 -8.19479750e+00 -4.02637750e+01 2.33863865e+01 30 2.39803469e+01 3.85477111e+01 6.09589845e+00 31 4.18749317e+01 -2.65732598e+01 3.37152726e+01 32 2.38386890e+01 4.00442294e+01 4.24634309e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = W (Configuration in file "config-T-W.xyz") ----------------------------------------------------------------------------------------------------- Energy = 386.455314936 Forces: 1 7.68900938e+01 -5.37737469e+01 9.32443538e+00 2 -7.67313347e+01 4.68045899e+01 4.97552824e+01 3 2.22918904e+00 2.14630416e+01 4.07317290e+01 4 3.86819271e+01 3.87503768e+01 -6.37800060e+00 5 3.58904843e+01 -3.24060804e+01 1.06175631e+01 6 -8.15488239e+01 1.08571107e+02 5.28817305e+01 7 -1.85918513e+01 -8.86553588e+01 -7.97981992e+01 8 -3.59596176e+01 -3.69500911e+01 1.03892121e+01 9 -3.87144436e+01 -8.68392069e+01 5.13611724e+01 10 -2.44583377e+01 -3.16625244e+00 -3.24965030e+01 11 -3.65949542e+00 -2.83763938e+01 -4.56595356e+01 12 3.52594653e+01 1.09526325e+01 8.17915691e+01 13 -3.78447319e+01 -3.34098877e+01 -1.08334579e+02 14 -5.95819280e+01 2.14642721e+01 -4.97603491e+01 15 9.57257039e+01 -1.81716725e+01 3.93568218e+01 16 2.15261053e+01 7.13383653e+01 3.92639127e+01 17 4.46138453e+01 -5.16223818e+01 -2.34721156e+01 18 1.27147587e+01 9.64076366e+00 1.26544565e+00 19 1.43093555e+01 6.65724684e+00 2.31973040e+01 20 4.57543427e+01 7.65493563e+01 -1.89082991e+01 21 -4.00966103e+01 -1.08322520e+01 1.67181548e+01 22 -1.44165224e+01 1.16966132e+02 8.06888317e+01 23 -4.51132833e+01 -9.50291081e+01 -6.51842070e+01 24 5.23750000e+01 3.00305345e+01 -7.57305204e+01 25 -4.64270457e+01 -1.79368156e+01 1.96810388e+01 26 -1.40636952e+01 3.34825969e+01 -3.51946568e+01 27 8.85975275e+01 -1.08042473e+02 -3.50278119e+01 28 -9.42269196e+01 9.07577447e+01 -2.58705820e+01 29 -6.21676096e+00 -3.86747097e+01 2.52179609e+01 30 4.29095046e+00 1.78182985e+01 6.63716395e+00 31 3.33842784e+01 -3.04886107e+01 2.93241747e+01 32 3.54083742e+01 3.31279822e+01 1.36118567e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==1490== Memcheck, a memory error detector ==1490== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==1490== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==1490== Command: python runner2.py EAM_Dynamo_MarinicaVentelonGilbert_2013EAM2_W__MO_204305659515_000 ==1490== ==1490== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==1490== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==1490== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==1490== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==1490== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==1490== by 0x4010732: call_init (dl-init.c:72) ==1490== by 0x4010732: _dl_init (dl-init.c:119) ==1490== by 0x40151FE: dl_open_worker (dl-open.c:522) ==1490== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==1490== by 0x40147C9: _dl_open (dl-open.c:605) ==1490== by 0x544CF95: dlopen_doit (dlopen.c:66) ==1490== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==1490== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==1490== by 0x544D734: _dlerror_run (dlerror.c:162) ==1490== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==1490== ==1490== ==1490== HEAP SUMMARY: ==1490== in use at exit: 56,053,075 bytes in 3,961 blocks ==1490== total heap usage: 114,082 allocs, 110,121 frees, 115,720,735 bytes allocated ==1490== ==1490== LEAK SUMMARY: ==1490== definitely lost: 0 bytes in 0 blocks ==1490== indirectly lost: 0 bytes in 0 blocks ==1490== possibly lost: 182,191 bytes in 111 blocks ==1490== still reachable: 55,870,884 bytes in 3,850 blocks ==1490== suppressed: 0 bytes in 0 blocks ==1490== Rerun with --leak-check=full to see details of leaked memory ==1490== ==1490== For counts of detected and suppressed errors, rerun with: -v ==1490== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 2511 from 170) ================================================================================ 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.