!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!! !!!!!
!!!!! 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 and Daniel S. Karls
-----------------------------------------------------------------------------------------------------
Results for KIM Model : Sim_LAMMPS_MEAM_Wagner_2007_Cu__SM_521856783904_000
Supported species : Cu
random seed = 13
lattice constant (orig) = 3.000
perturbation amplitude = 0.300
number unit cells per side = 2
-----------------------------------------------------------------------------------------------------
MONOATOMIC STRUCTURE (pbc=False)-- Species = Cu (Configuration in file "config-F-Cu.xyz")
-----------------------------------------------------------------------------------------------------
Energy = 13.35258781262336
Forces:
1 -9.82935828e+00 -7.25531531e+00 -1.72434691e+01
2 -3.71964206e+00 3.05366274e+00 -2.34738693e+00
3 1.43877175e+01 -9.32681116e+00 5.46534870e+00
4 -3.43899147e+00 8.54103533e+00 8.01587407e+00
5 -1.63803957e+00 -8.33892104e+00 -1.32972442e+00
6 5.57879176e+00 6.12873664e+00 -2.34120585e+00
7 -4.53847606e+00 -5.34625432e+01 -4.68072688e+01
8 -2.69901386e+00 -1.26393906e+01 7.05717552e+00
9 -1.75821774e+00 -1.70487093e+01 -1.73070721e+01
10 -4.03239218e+01 2.76059868e+01 -4.33245640e+01
11 -2.89535822e+01 -1.49120151e+00 -4.63839971e+00
12 1.71700975e+00 1.39240359e+01 1.35447501e+01
13 6.41649143e+00 -1.34104529e+01 -3.61814427e+01
14 2.21451095e+00 6.00841885e+00 -5.36616694e+00
15 2.18393595e+01 -2.73488275e+00 2.04338012e+01
16 3.55123475e+01 -6.41404942e+00 3.73911885e+01
17 -1.04012364e+01 -2.47443133e+00 -7.91577472e+00
18 1.15944869e+00 3.32389187e+00 -3.01287827e+00
19 9.53142147e+00 -1.07997543e+01 4.36038596e+00
20 -8.07057892e+00 1.18164554e+01 8.01044045e+00
21 -8.34990785e+00 -8.24218747e+00 -4.63163797e+00
22 1.69053396e+01 5.39874936e+01 5.03193691e+01
23 4.48641470e+00 9.77247935e-01 2.93107957e+00
24 3.96182772e+00 -9.60059139e-01 1.71946119e+00
25 -5.60350903e+00 5.20377136e-01 1.60603389e+00
26 -7.38565139e+00 8.96112067e+00 -3.46276066e+00
27 3.04436507e+01 -4.22152826e+01 9.59947079e+00
28 -3.95553330e+01 3.63567089e+01 -1.45602921e+00
29 -7.66848284e+00 -2.51921195e-01 -4.36729392e+00
30 7.53627870e+00 1.87386744e+01 -2.32980068e+00
31 3.04798785e+01 -2.30219188e+01 1.74731880e+01
32 -8.23654599e+00 2.01439860e+01 1.61353089e+01
MONOATOMIC STRUCTURE (pbc=True)-- Species = Cu (Configuration in file "config-T-Cu.xyz")
-----------------------------------------------------------------------------------------------------
Energy = 13.35258781262336
Forces:
1 -9.82935828e+00 -7.25531531e+00 -1.72434691e+01
2 -3.71964206e+00 3.05366274e+00 -2.34738693e+00
3 1.43877175e+01 -9.32681116e+00 5.46534870e+00
4 -3.43899147e+00 8.54103533e+00 8.01587407e+00
5 -1.63803957e+00 -8.33892104e+00 -1.32972442e+00
6 5.57879176e+00 6.12873664e+00 -2.34120585e+00
7 -4.53847606e+00 -5.34625432e+01 -4.68072688e+01
8 -2.69901386e+00 -1.26393906e+01 7.05717552e+00
9 -1.75821774e+00 -1.70487093e+01 -1.73070721e+01
10 -4.03239218e+01 2.76059868e+01 -4.33245640e+01
11 -2.89535822e+01 -1.49120151e+00 -4.63839971e+00
12 1.71700975e+00 1.39240359e+01 1.35447501e+01
13 6.41649143e+00 -1.34104529e+01 -3.61814427e+01
14 2.21451095e+00 6.00841885e+00 -5.36616694e+00
15 2.18393595e+01 -2.73488275e+00 2.04338012e+01
16 3.55123475e+01 -6.41404942e+00 3.73911885e+01
17 -1.04012364e+01 -2.47443133e+00 -7.91577472e+00
18 1.15944869e+00 3.32389187e+00 -3.01287827e+00
19 9.53142147e+00 -1.07997543e+01 4.36038596e+00
20 -8.07057892e+00 1.18164554e+01 8.01044045e+00
21 -8.34990785e+00 -8.24218747e+00 -4.63163797e+00
22 1.69053396e+01 5.39874936e+01 5.03193691e+01
23 4.48641470e+00 9.77247935e-01 2.93107957e+00
24 3.96182772e+00 -9.60059139e-01 1.71946119e+00
25 -5.60350903e+00 5.20377136e-01 1.60603389e+00
26 -7.38565139e+00 8.96112067e+00 -3.46276066e+00
27 3.04436507e+01 -4.22152826e+01 9.59947079e+00
28 -3.95553330e+01 3.63567089e+01 -1.45602921e+00
29 -7.66848284e+00 -2.51921195e-01 -4.36729392e+00
30 7.53627870e+00 1.87386744e+01 -2.32980068e+00
31 3.04798785e+01 -2.30219188e+01 1.74731880e+01
32 -8.23654599e+00 2.01439860e+01 1.61353089e+01
================================================================================
VALGRIND OUTPUT
================================================================================
==5581== Memcheck, a memory error detector
==5581== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al.
==5581== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info
==5581== Command: python runner2.py Sim_LAMMPS_MEAM_Wagner_2007_Cu__SM_521856783904_000
==5581==
==5581== Conditional jump or move depends on uninitialised value(s)
==5581== at 0x4FCBE77: __wcsnlen_avx2 (strlen-avx2.S:261)
==5581== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104)
==5581== by 0x4E7FB20: wcstombs (wcstombs.c:34)
==5581== by 0x547A3F: ??? (in /usr/bin/python3.6)
==5581== by 0x63345D: _Py_stat (in /usr/bin/python3.6)
==5581== by 0x5BA640: ??? (in /usr/bin/python3.6)
==5581== by 0x551B80: ??? (in /usr/bin/python3.6)
==5581== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6)
==5581== by 0x50ABB2: ??? (in /usr/bin/python3.6)
==5581== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6)
==5581== by 0x509D47: ??? (in /usr/bin/python3.6)
==5581== by 0x50AA7C: ??? (in /usr/bin/python3.6)
==5581==
==5581== Conditional jump or move depends on uninitialised value(s)
==5581== at 0x4E63408: internal_utf8_loop (loop.c:298)
==5581== by 0x4E63408: __gconv_transform_internal_utf8 (skeleton.c:609)
==5581== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110)
==5581== by 0x4E7FB20: wcstombs (wcstombs.c:34)
==5581== by 0x547A3F: ??? (in /usr/bin/python3.6)
==5581== by 0x63345D: _Py_stat (in /usr/bin/python3.6)
==5581== by 0x5BA640: ??? (in /usr/bin/python3.6)
==5581== by 0x551B80: ??? (in /usr/bin/python3.6)
==5581== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6)
==5581== by 0x50ABB2: ??? (in /usr/bin/python3.6)
==5581== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6)
==5581== by 0x509D47: ??? (in /usr/bin/python3.6)
==5581== by 0x50AA7C: ??? (in /usr/bin/python3.6)
==5581==
==5581== Conditional jump or move depends on uninitialised value(s)
==5581== at 0x4E63411: internal_utf8_loop (loop.c:303)
==5581== by 0x4E63411: __gconv_transform_internal_utf8 (skeleton.c:609)
==5581== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110)
==5581== by 0x4E7FB20: wcstombs (wcstombs.c:34)
==5581== by 0x547A3F: ??? (in /usr/bin/python3.6)
==5581== by 0x63345D: _Py_stat (in /usr/bin/python3.6)
==5581== by 0x5BA640: ??? (in /usr/bin/python3.6)
==5581== by 0x551B80: ??? (in /usr/bin/python3.6)
==5581== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6)
==5581== by 0x50ABB2: ??? (in /usr/bin/python3.6)
==5581== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6)
==5581== by 0x509D47: ??? (in /usr/bin/python3.6)
==5581== by 0x50AA7C: ??? (in /usr/bin/python3.6)
==5581==
==5581== Conditional jump or move depends on uninitialised value(s)
==5581== at 0x4E63458: internal_utf8_loop (loop.c:298)
==5581== by 0x4E63458: __gconv_transform_internal_utf8 (skeleton.c:609)
==5581== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110)
==5581== by 0x4E7FB20: wcstombs (wcstombs.c:34)
==5581== by 0x547A3F: ??? (in /usr/bin/python3.6)
==5581== by 0x63345D: _Py_stat (in /usr/bin/python3.6)
==5581== by 0x5BA640: ??? (in /usr/bin/python3.6)
==5581== by 0x551B80: ??? (in /usr/bin/python3.6)
==5581== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6)
==5581== by 0x50ABB2: ??? (in /usr/bin/python3.6)
==5581== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6)
==5581== by 0x509D47: ??? (in /usr/bin/python3.6)
==5581== by 0x50AA7C: ??? (in /usr/bin/python3.6)
==5581==
==5581== Conditional jump or move depends on uninitialised value(s)
==5581== at 0x4FCBCEC: __wcsnlen_avx2 (strlen-avx2.S:103)
==5581== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104)
==5581== by 0x4E7FB20: wcstombs (wcstombs.c:34)
==5581== by 0x547A3F: ??? (in /usr/bin/python3.6)
==5581== by 0x547D20: PyUnicode_FSConverter (in /usr/bin/python3.6)
==5581== by 0x4CAD31: ??? (in /usr/bin/python3.6)
==5581== by 0x551B80: ??? (in /usr/bin/python3.6)
==5581== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6)
==5581== by 0x50ABB2: ??? (in /usr/bin/python3.6)
==5581== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6)
==5581== by 0x509D47: ??? (in /usr/bin/python3.6)
==5581== by 0x50AA7C: ??? (in /usr/bin/python3.6)
==5581==
--5581-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13
--5581-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13
--5581-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13
--5581-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13
--5581-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13
--5581-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13
--5581-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13
--5581-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13
--5581-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13
--5581-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13
--5581-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13
--5581-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13
--5581-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13
--5581-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13
--5581-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13
--5581-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13
--5581-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13
--5581-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13
--5581-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13
--5581-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13
--5581-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13
--5581-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13
--5581-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13
--5581-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13
--5581-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13
--5581-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13
--5581-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13
--5581-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13
--5581-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13
--5581-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13
--5581-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13
--5581-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13
--5581-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13
--5581-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13
--5581-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13
--5581-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13
--5581-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13
--5581-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13
--5581-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13
--5581-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13
--5581-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13
--5581-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13
--5581-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13
--5581-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13
--5581-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13
--5581-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13
--5581-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13
--5581-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13
==5581==
==5581== HEAP SUMMARY:
==5581== in use at exit: 3,062,353 bytes in 1,951 blocks
==5581== total heap usage: 47,324 allocs, 45,373 frees, 93,136,464 bytes allocated
==5581==
==5581== LEAK SUMMARY:
==5581== definitely lost: 0 bytes in 0 blocks
==5581== indirectly lost: 0 bytes in 0 blocks
==5581== possibly lost: 151,315 bytes in 96 blocks
==5581== still reachable: 2,911,038 bytes in 1,855 blocks
==5581== suppressed: 0 bytes in 0 blocks
==5581== Rerun with --leak-check=full to see details of leaked memory
==5581==
==5581== For counts of detected and suppressed errors, rerun with: -v
==5581== Use --track-origins=yes to see where uninitialised values come from
==5581== ERROR SUMMARY: 6672 errors from 5 contexts (suppressed: 11492 from 645)
================================================================================
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.