!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_MendelevKramerBecker_2008_Al__MO_106969701023_005 Supported species : Al random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Al (Configuration in file "config-F-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 66960.7120042 Forces: 1 -5.18529553e+03 -5.36572180e+03 -3.66556207e+03 2 -1.12756888e+04 -1.76213894e+04 -2.88005371e+04 3 -1.12534789e+04 -2.07145114e+04 -3.19848513e+03 4 -2.16870536e+04 -1.18148081e+04 -5.81655903e+03 5 -2.92946423e+03 -2.02017996e+04 -1.48068955e+04 6 1.71413792e+04 -6.86875471e+03 -2.11211090e+04 7 2.26327989e+04 -3.22111869e+04 -5.93921082e+03 8 3.00718244e+04 -8.12208302e+04 -3.85729165e+04 9 -2.03626732e+04 2.57473681e+03 -2.22367988e+04 10 -7.47041632e+03 2.55656109e+04 -2.42955926e+04 11 -7.51540688e+04 8.99947548e+03 -4.11725157e+04 12 -2.14604342e+04 1.66502152e+04 -3.39578271e+03 13 1.88815753e+04 1.99243132e+04 -5.38305414e+04 14 1.04981587e+04 1.07700410e+04 -1.06462064e+04 15 6.25982174e+04 2.55405311e+04 -2.73456332e+04 16 1.20500279e+04 6.57076074e+04 -2.30346459e+04 17 -5.95038859e+03 -5.77224277e+03 2.59811590e+03 18 -3.05621744e+04 -3.20093050e+04 2.56936332e+04 19 -4.04444690e+03 -7.32684572e+03 6.33392970e+03 20 -5.97454996e+03 -2.72236418e+03 5.66194676e+03 21 4.02556044e+03 -2.61635110e+04 1.35240735e+04 22 3.41910927e+04 -2.04987588e+04 1.50936984e+04 23 3.55829448e+03 -5.51837002e+03 5.35548666e+03 24 1.88444132e+03 -1.39123659e+04 2.55842206e+04 25 -3.46161898e+04 8.92058377e+03 1.87762437e+04 26 -2.44783684e+04 4.05225148e+04 2.12838416e+04 27 -1.60873992e+04 3.24169363e+03 2.42722896e+04 28 -7.51885962e+03 4.25531715e+03 7.74166440e+03 29 3.47729239e+04 3.16031558e+04 8.71010022e+04 30 2.79234386e+04 2.54368706e+04 4.98234513e+03 31 2.86722380e+04 1.29180018e+03 3.51701566e+04 32 -2.89102083e+03 1.89382984e+04 2.87063438e+04 MONOATOMIC STRUCTURE (pbc=True)-- Species = Al (Configuration in file "config-T-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 15893714.0178 Forces: 1 1.20907251e+05 -2.74170698e+04 2.41100302e+05 2 3.42090081e+05 8.71321463e+04 -1.74056174e+05 3 2.19538988e+05 1.56511062e+06 1.04243398e+06 4 7.45215825e+05 1.88517824e+05 1.28916382e+06 5 9.83495596e+05 1.09868892e+06 -4.38541727e+05 6 -1.08482755e+06 1.41493653e+05 -6.33044507e+05 7 -4.55373414e+05 -1.72970339e+05 2.90103033e+05 8 -8.37085104e+05 -1.37299035e+06 6.60369511e+05 9 -1.09138937e+06 -1.65691318e+06 5.22086691e+05 10 2.48735845e+05 8.82558242e+05 -4.28322126e+05 11 -5.77622883e+05 -1.97132104e+06 9.04881789e+05 12 -3.84463517e+05 3.98804425e+05 8.39500284e+05 13 8.75172451e+04 -1.20019725e+06 -2.11229487e+06 14 -6.09259663e+05 5.56948128e+05 -9.69066721e+05 15 1.50568778e+06 -8.62665798e+05 8.71203389e+05 16 6.05092007e+05 1.76307493e+06 1.08778448e+06 17 -2.49795741e+05 4.79638721e+05 -1.04799456e+06 18 4.00480216e+05 1.20108724e+05 -2.54634828e+04 19 1.51652618e+06 1.32174001e+06 -2.74429665e+05 20 1.27020830e+05 1.09655559e+06 -1.02716360e+06 21 -2.99021887e+05 7.14432584e+05 4.53558071e+05 22 -1.86314939e+05 5.80130901e+05 6.72203172e+05 23 -1.43924051e+06 -1.30630609e+05 -3.30319176e+05 24 -6.02601042e+04 -2.79533627e+05 -8.77121851e+05 25 -5.21295560e+05 -1.40618658e+06 1.75864733e+05 26 3.71241829e+05 7.84879048e+05 -2.42406135e+05 27 1.36840252e+06 -2.67324463e+06 -1.26852552e+06 28 -2.21105761e+06 6.92609231e+05 -9.67477472e+05 29 8.90261427e+04 -1.24471015e+06 1.43566597e+06 30 -3.32537594e+05 3.63713975e+05 9.95089412e+05 31 -5.98822035e+04 -3.92749990e+05 -2.18945542e+05 32 1.66844931e+06 5.55392950e+05 -4.45835511e+05 ================================================================================ VALGRIND OUTPUT ================================================================================ ==3041== Memcheck, a memory error detector ==3041== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==3041== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==3041== Command: python runner2.py EAM_Dynamo_MendelevKramerBecker_2008_Al__MO_106969701023_005 ==3041== ==3041== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==3041== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==3041== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==3041== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==3041== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==3041== by 0x4010732: call_init (dl-init.c:72) ==3041== by 0x4010732: _dl_init (dl-init.c:119) ==3041== by 0x40151FE: dl_open_worker (dl-open.c:522) ==3041== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==3041== by 0x40147C9: _dl_open (dl-open.c:605) ==3041== by 0x544CF95: dlopen_doit (dlopen.c:66) ==3041== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==3041== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==3041== by 0x544D734: _dlerror_run (dlerror.c:162) ==3041== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==3041== ==3041== ==3041== HEAP SUMMARY: ==3041== in use at exit: 10,035,127 bytes in 3,961 blocks ==3041== total heap usage: 116,125 allocs, 112,164 frees, 64,093,877 bytes allocated ==3041== ==3041== LEAK SUMMARY: ==3041== definitely lost: 0 bytes in 0 blocks ==3041== indirectly lost: 0 bytes in 0 blocks ==3041== possibly lost: 182,191 bytes in 111 blocks ==3041== still reachable: 9,852,936 bytes in 3,850 blocks ==3041== suppressed: 0 bytes in 0 blocks ==3041== Rerun with --leak-check=full to see details of leaked memory ==3041== ==3041== For counts of detected and suppressed errors, rerun with: -v ==3041== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 2503 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.