!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_Shifted_GirifalcoWeizer_1959HighCutoff_Cr__MO_859700307573_002 Supported species : Cr random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Cr (Configuration in file "config-F-Cr.xyz") ----------------------------------------------------------------------------------------------------- Energy = 145.654585314 Forces: 1 -6.51744864e+00 -1.34469965e+01 -1.44986412e+01 2 -1.59302951e+01 2.50089788e+01 -1.64928888e+01 3 5.77977910e+00 -7.46695006e+00 3.53776434e+00 4 -6.55876343e+00 1.14043671e+01 1.06550019e+01 5 2.02980114e+01 -3.28490701e+01 -3.21473756e+00 6 6.94239005e+00 3.20818019e+00 -1.15604041e+01 7 7.26144428e+00 -4.38728471e+01 -4.02268701e+01 8 -2.20990388e+01 -1.95120067e+01 8.08848232e+00 9 -1.99109408e+01 -1.15133693e+01 -2.89354742e+01 10 -6.71426142e+00 3.28952171e+01 -3.17627145e+01 11 -9.55090484e+00 -2.66192847e+01 2.76090588e+01 12 -1.37669580e+01 1.78969811e+01 9.14269578e+00 13 -8.06172402e+00 -1.51846234e+01 -6.73873280e+01 14 1.18330513e+01 1.55053097e+01 -1.09162934e+01 15 5.48997892e+01 -1.68588219e+01 1.28432191e+01 16 4.51422613e+00 4.39279392e+01 2.27518345e+01 17 -2.16980334e+01 -1.09422006e+01 -8.89146508e+00 18 5.14310937e+00 2.57998326e+01 -2.85615573e+01 19 6.65887378e+00 -3.30041838e+01 1.99973926e+01 20 -1.42899915e+01 1.26872880e+01 1.55443964e+01 21 -1.98250321e+01 -1.43904660e+01 8.27392848e+00 22 2.67359050e+01 3.74274569e+01 3.28999522e+01 23 6.67982609e+00 -2.48547428e+00 9.58713806e+00 24 1.32130882e+01 9.11565697e+00 1.62226113e+01 25 -1.53567624e+01 -1.45308383e+01 -7.10940535e+00 26 -8.24738332e+00 2.88816472e+01 -1.70022256e+01 27 2.27250940e+01 -5.07095500e+01 2.12666725e+01 28 -4.22328982e+01 3.80832784e+01 1.03121850e+01 29 -1.36110122e+01 -2.25121732e+01 7.25927848e+00 30 1.46593118e+01 2.43572444e+01 1.30042071e+01 31 2.32440173e+01 -1.20635917e+01 1.49968411e+01 32 1.37835312e+01 2.17630701e+01 2.25673455e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Cr (Configuration in file "config-T-Cr.xyz") ----------------------------------------------------------------------------------------------------- Energy = 165.10695016 Forces: 1 3.10935595e+01 -2.63996100e+01 7.85572416e+00 2 -5.43526259e+01 2.64591086e+01 4.05452050e+01 3 3.95708988e+00 1.19995829e+01 5.53120811e+00 4 2.31064542e+01 1.98311972e+01 -1.02439094e-01 5 3.48724180e+01 -9.96033224e+00 5.03191241e+00 6 -3.65044009e+01 3.65810927e+01 8.21869382e+00 7 -8.19599114e+00 -4.01768209e+01 -4.22290374e+01 8 -2.13431542e+01 -2.05175807e+01 6.97457111e+00 9 -3.57457674e+01 -3.24218588e+01 2.03147606e+01 10 -2.17926068e+01 8.82529109e+00 -1.70974570e+01 11 -1.08815068e+01 -2.55002065e+01 2.65633695e+01 12 1.41790878e+01 5.47063259e+00 1.36015372e+01 13 -5.85241226e+00 -1.76712255e+01 -5.79189143e+01 14 -1.61176229e+01 9.35016672e+00 -1.81121251e+01 15 4.61503037e+01 -1.59547915e+01 1.21077863e+01 16 8.19892792e+00 3.40661631e+01 2.33135509e+01 17 1.63912940e+01 -2.54579015e+01 -8.49168968e+00 18 4.04469723e+00 2.42741964e+01 -2.77783032e+01 19 5.54341543e+00 -1.19440457e+01 1.72122766e+01 20 1.31109327e+01 3.61233880e+01 -6.22281254e+00 21 -1.87501409e+01 -3.60439103e+00 1.05777640e+01 22 -8.81324254e+00 5.58571169e+01 4.03257071e+01 23 -2.54426965e+01 -3.18757417e+01 -1.32562118e+01 24 5.33727519e+01 1.50299569e+01 -4.29634568e+01 25 -5.86856142e+00 -1.75969583e+01 -5.41976680e+00 26 -6.73548458e+00 8.95766868e+00 -2.03114874e+01 27 4.17373751e+01 -5.10371082e+01 -1.51775147e+01 28 -4.43814516e+01 4.18471297e+01 -1.11278583e+01 29 -1.23575368e+01 -2.11470865e+01 8.42469861e+00 30 -2.16996172e+00 1.22872771e+01 2.10336721e+01 31 1.89781249e+01 -1.33489866e+01 1.19766023e+01 32 2.05687322e+01 1.76546771e+01 6.60003416e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==16729== Memcheck, a memory error detector ==16729== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==16729== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==16729== Command: python runner2.py Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Cr__MO_859700307573_002 ==16729== ==16729== Syscall param sched_getaffinity(mask) points to unaddressable byte(s) ==16729== at 0x4F3FF2F: sched_getaffinity@@GLIBC_2.3.4 (sched_getaffinity.c:36) ==16729== by 0x705438B: get_num_procs (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==16729== by 0x705447C: blas_get_cpu_number (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==16729== by 0x6E2C077: gotoblas_init (in /usr/local/lib/python2.7/dist-packages/numpy/.libs/libopenblasp-r0-8dca6697.3.0.dev.so) ==16729== by 0x4010732: call_init (dl-init.c:72) ==16729== by 0x4010732: _dl_init (dl-init.c:119) ==16729== by 0x40151FE: dl_open_worker (dl-open.c:522) ==16729== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==16729== by 0x40147C9: _dl_open (dl-open.c:605) ==16729== by 0x544CF95: dlopen_doit (dlopen.c:66) ==16729== by 0x4FA32DE: _dl_catch_exception (dl-error-skeleton.c:196) ==16729== by 0x4FA336E: _dl_catch_error (dl-error-skeleton.c:215) ==16729== by 0x544D734: _dlerror_run (dlerror.c:162) ==16729== Address 0x0 is not stack'd, malloc'd or (recently) free'd ==16729== ==16729== ==16729== HEAP SUMMARY: ==16729== in use at exit: 4,691,976 bytes in 3,908 blocks ==16729== total heap usage: 122,690 allocs, 118,782 frees, 58,882,471 bytes allocated ==16729== ==16729== LEAK SUMMARY: ==16729== definitely lost: 0 bytes in 0 blocks ==16729== indirectly lost: 0 bytes in 0 blocks ==16729== possibly lost: 182,191 bytes in 111 blocks ==16729== still reachable: 4,509,785 bytes in 3,797 blocks ==16729== suppressed: 0 bytes in 0 blocks ==16729== Rerun with --leak-check=full to see details of leaked memory ==16729== ==16729== For counts of detected and suppressed errors, rerun with: -v ==16729== ERROR SUMMARY: 1 errors from 1 contexts (suppressed: 2508 from 173) ================================================================================ 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.