!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : Morse_QuinticSmoothed_Jelinek_1972_Ar__MO_908645784389_001 Supported species : Ar random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Ar (Configuration in file "config-F-Ar.xyz") ----------------------------------------------------------------------------------------------------- Energy = 291.525881166 Forces: 1 -8.14552759e+00 -1.33114115e+01 -1.39139152e+01 2 -1.13109152e+01 1.73391678e+01 -1.82273577e+01 3 -1.66233907e+00 -1.92763258e+01 -1.83296873e+00 4 -1.14611243e+01 8.31674351e+00 7.34173150e+00 5 1.68345861e+01 -2.81750463e+01 -7.57822199e+00 6 8.41729359e+00 1.08174552e+00 -1.24864344e+01 7 1.12187240e+01 -3.84072819e+01 -3.25918682e+01 8 -1.06862364e+01 -1.29369752e+01 -6.23133272e+00 9 -1.51174492e+01 -1.91072387e+01 -3.40204903e+01 10 -1.49217345e+00 2.97162018e+01 -2.96432057e+01 11 -1.01839487e+01 -1.82717504e+01 1.57349843e+01 12 -2.16973574e+01 2.55545262e+01 1.83578245e+01 13 -5.06592689e+00 -1.44082475e+01 -5.51565498e+01 14 1.32117998e+01 1.57009146e+01 -1.23903714e+01 15 4.77042804e+01 -1.22994146e+01 6.61960486e+00 16 3.80733326e+00 4.07036411e+01 1.61087298e+01 17 -1.82024800e+01 -9.48696530e+00 -5.71502608e+00 18 -8.57287697e+00 1.09231164e+01 7.70671549e+00 19 4.65467375e+00 -1.79022605e+01 1.18227835e+01 20 -9.38357025e+00 9.81353656e+00 1.10736264e+01 21 -1.11202333e+01 -2.09111419e+01 9.91986308e+00 22 2.86173995e+01 2.74603031e+01 2.42781501e+01 23 9.00500752e+00 -4.88567550e+00 1.30052079e+01 24 3.75005904e+00 6.66220046e+00 1.33498017e+01 25 -1.82424006e+01 -8.66832592e+00 -7.21741561e+00 26 -7.92958252e+00 2.87581763e+01 -1.24621138e+01 27 1.50110849e+01 -3.91810682e+01 2.10668276e+01 28 -3.55774766e+01 3.16450691e+01 1.13564403e+01 29 -7.98680547e+00 -1.23883991e+01 1.12562052e+01 30 1.68082115e+01 2.35476327e+01 1.14898716e+01 31 2.25236931e+01 -8.54352427e+00 1.63353386e+01 32 1.22742774e+01 2.09380776e+01 2.26435653e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ar (Configuration in file "config-T-Ar.xyz") ----------------------------------------------------------------------------------------------------- Energy = 501.142947952 Forces: 1 2.34697877e+01 -1.60186596e+01 5.75797856e+00 2 -3.83942987e+01 2.00463237e+01 2.92370406e+01 3 -4.05578957e+00 1.29006268e+00 1.32334693e+00 4 1.86718200e+01 1.58118355e+01 4.70992917e-01 5 2.75434268e+01 -4.51825617e+00 2.08052373e+00 6 -2.92925001e+01 3.34554065e+01 1.52425759e+01 7 -5.78751801e+00 -3.08769544e+01 -3.24893675e+01 8 -1.19763162e+01 -1.26921782e+01 -5.65512125e+00 9 -2.36404380e+01 -3.67908201e+01 8.11021541e+00 10 -1.18279131e+01 6.70603142e+00 -1.38643662e+01 11 -9.96704204e+00 -1.89353402e+01 1.71943606e+01 12 1.49558746e+01 7.97633757e+00 3.57248683e+01 13 -4.18304392e+00 -1.79787888e+01 -4.26997108e+01 14 -2.74787048e+01 9.93623768e+00 -2.24744371e+01 15 3.63684763e+01 -1.21545727e+01 7.91221690e+00 16 6.72885800e+00 2.63317443e+01 1.78578644e+01 17 1.57572378e+01 -1.85998142e+01 -6.65603281e+00 18 -8.23927090e+00 1.14783130e+01 7.41855351e+00 19 4.88192969e+00 3.98413138e+00 5.32893314e+00 20 2.69222177e+01 3.57826173e+01 -1.02461404e+01 21 -1.15966139e+01 -6.27116609e+00 1.10240338e+01 22 -4.20649037e+00 4.31719201e+01 2.95351714e+01 23 -2.94880623e+01 -3.70827729e+01 -1.65358441e+01 24 3.27048960e+01 1.20178137e+01 -3.64331547e+01 25 -5.36363347e+00 -1.29690744e+01 -6.46382142e+00 26 -5.69744001e+00 6.86703076e+00 -1.59808671e+01 27 3.05315833e+01 -4.15068638e+01 -1.28180795e+01 28 -3.58716054e+01 3.17240080e+01 -1.03332739e+01 29 -8.16993826e+00 -1.28879118e+01 1.11903877e+01 30 4.19910640e+00 9.28858049e+00 1.30981470e+01 31 1.46013186e+01 -1.06241978e+01 9.32676968e+00 32 1.79000861e+01 1.40389772e+01 4.81623620e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==16338== Memcheck, a memory error detector ==16338== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==16338== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==16338== Command: python runner2.py Morse_QuinticSmoothed_Jelinek_1972_Ar__MO_908645784389_001 ==16338== ==16338== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==16338== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==16338== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==16338== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==16338== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==16338== by 0x4010732: call_init (dl-init.c:72) ==16338== by 0x4010732: _dl_init (dl-init.c:119) ==16338== by 0x40151FE: dl_open_worker (dl-open.c:522) ==16338== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==16338== by 0x40147C9: _dl_open (dl-open.c:605) ==16338== by 0x544CF95: dlopen_doit (dlopen.c:66) ==16338== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==16338== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==16338== by 0x544D734: _dlerror_run (dlerror.c:162) ==16338== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==16338== ==16338== ==16338== HEAP SUMMARY: ==16338== in use at exit: 4,606,972 bytes in 3,910 blocks ==16338== total heap usage: 119,231 allocs, 115,321 frees, 58,515,903 bytes allocated ==16338== ==16338== LEAK SUMMARY: ==16338== definitely lost: 0 bytes in 0 blocks ==16338== indirectly lost: 0 bytes in 0 blocks ==16338== possibly lost: 182,191 bytes in 111 blocks ==16338== still reachable: 4,424,781 bytes in 3,799 blocks ==16338== suppressed: 0 bytes in 0 blocks ==16338== Rerun with --leak-check=full to see details of leaked memory ==16338== ==16338== For counts of detected and suppressed errors, rerun with: -v ==16338== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 2505 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.