Model Extended KIM ID =
=== Verification check vc-memory-leak start (2017-12-16 10:03:14) ===
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!!!!! VERIFICATION CHECK: vc-memory-leak !!!!!
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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 : Pair_Morse_Shifted_GirifalcoWeizer_LowCutoff_Ba__MO_143487634619_001
Supported species : Ba
random seed = 13
lattice constant (orig) = 3.000
perturbation amplitude = 0.300
number unit cells per side = 2
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MONOATOMIC STRUCTURE (pbc=False)-- Species = Ba (Configuration in file "config-F-Ba.xyz")
-----------------------------------------------------------------------------------------------------
Energy = 1054.57030289
Forces:
1 -3.35424402e+01 -2.71184571e+01 -3.92433968e+01
2 -5.07870430e+00 5.57689870e+00 -4.47653789e+01
3 5.78235032e+00 -5.17287516e+01 3.12697553e+00
4 -4.70456566e+01 1.60830820e+01 4.31828103e+00
5 1.09513605e+01 -3.74448177e+01 -2.97702500e+01
6 3.35717966e+01 -7.30527851e-01 -3.40631649e+01
7 2.69226606e+01 -3.85446734e+01 -3.14612409e+00
8 3.95781192e+00 -2.41349526e+01 4.82328871e+00
9 -3.04086145e+01 -7.38932270e+00 -4.27486844e+01
10 -6.90315785e+00 3.95066477e+01 -3.97559992e+01
11 -1.56389209e+01 -5.18614244e+00 -4.20565451e+00
12 -3.69456130e+01 3.49558711e+01 4.47900087e+00
13 6.87459771e+00 -3.48848485e+00 -5.77599352e+01
14 2.24454808e+01 2.10493975e+01 -2.36731692e+01
15 5.55553716e+01 5.21042925e+00 -7.71334463e+00
16 9.66117333e+00 5.14561791e+01 -1.05487347e+01
17 -4.43125423e+01 -3.49818151e+01 -4.31618429e+00
18 3.63575958e+00 8.12181892e+00 -1.95233449e+00
19 1.29951381e+01 -4.67716635e+01 3.53084887e+01
20 -4.25868520e+01 1.56363140e+01 3.70455183e+01
21 2.89884527e+00 -3.58244927e+01 6.94109150e+00
22 4.07424019e+01 -1.07139136e+00 1.41616041e+01
23 1.71339456e+01 -1.33005493e+01 2.05135475e+01
24 1.67832663e+01 -3.44272148e+00 3.65476710e+01
25 -3.92049585e+01 2.28387563e+00 6.91037289e+00
26 -1.99412547e+01 5.54177065e+01 7.12286725e+00
27 -7.25573495e+00 -8.98794075e+00 3.43569979e+01
28 -2.96924589e+01 3.13958805e+01 2.34931609e+01
29 7.04308382e+00 -9.23967305e+00 1.88767196e+01
30 3.82631880e+01 3.74420855e+01 8.40489935e+00
31 3.49378520e+01 -7.63945586e+00 3.48642587e+01
32 8.40082487e+00 3.28896468e+01 4.23676116e+01
MONOATOMIC STRUCTURE (pbc=True)-- Species = Ba (Configuration in file "config-T-Ba.xyz")
-----------------------------------------------------------------------------------------------------
Energy = 1394.3358367
Forces:
1 -2.55184772e-01 -1.00040094e+01 -5.90763766e+00
2 -7.43476390e-02 1.74666351e+01 6.74026390e-01
3 1.52149403e+01 -6.10462653e+00 1.70335471e+01
4 -2.66074283e+00 2.92418925e+01 1.40414191e+01
5 9.97557907e+00 -9.97186034e+00 -2.61409384e+00
6 -1.18554429e+01 2.57305364e+01 -1.20559278e+01
7 -9.75524281e+00 -5.96559622e+00 9.46983959e+00
8 -4.98892050e+00 -2.08832137e+01 1.05035441e+01
9 -1.00485477e+01 -2.62174486e+01 -8.03562983e+00
10 3.88675816e+00 4.33463262e+00 -1.08631093e+01
11 -7.45530353e+00 -1.11431762e+01 8.06892338e+00
12 1.24536808e+00 1.36956742e+00 1.48903550e+01
13 2.81596367e+00 -1.05956566e+01 -2.38706130e+01
14 -1.35162722e+01 -3.65639297e+00 -1.12689421e+01
15 1.85892494e+01 -1.09926295e+01 1.15584247e+00
16 5.72844157e+00 1.62877062e+01 3.86978440e-01
17 -7.62366357e+00 -1.10133103e+01 -1.11906918e+01
18 1.43641606e+01 2.01351340e+01 -7.27137719e+00
19 2.58080385e+01 -1.50518011e+01 2.04692928e+00
20 -1.25376245e+01 3.88442407e+01 -3.33074233e+00
21 -8.90528285e-01 1.22645676e+01 3.56818032e+00
22 -6.64914703e+00 1.83281874e+01 1.35177894e+01
23 -2.14094712e+01 -1.60283163e+00 -9.80169754e+00
24 1.70948136e+01 9.78103485e+00 -1.71759391e+01
25 -1.51653511e-02 -1.69298523e+01 3.88681240e+00
26 -1.69747533e+01 1.32820405e+01 2.57924916e+00
27 4.02004530e+00 -1.97777272e+01 -6.29244533e+00
28 -9.11455260e+00 -8.21579086e-02 -8.40758450e+00
29 1.34250892e+00 -2.23935444e+01 1.41589840e+01
30 1.50887159e+00 6.52496652e+00 8.30769790e+00
31 1.00474996e+01 -1.99263573e+01 6.01445077e+00
32 4.18267237e+00 8.72105036e+00 7.78186262e+00
================================================================================
VALGRIND OUTPUT
================================================================================
==28135== Memcheck, a memory error detector
==28135== Copyright (C) 2002-2015, and GNU GPL'd, by Julian Seward et al.
==28135== Using Valgrind-3.11.0 and LibVEX; rerun with -h for copyright info
==28135== Command: python runner2.py Pair_Morse_Shifted_GirifalcoWeizer_LowCutoff_Ba__MO_143487634619_001
==28135==
==28135== Warning: set address range perms: large range [0x20fe9000, 0x314e9000) (defined)
==28135== Warning: set address range perms: large range [0x2122d000, 0x314e9000) (defined)
==28135== Warning: set address range perms: large range [0x20fe9000, 0x314e9000) (noaccess)
==28135== Warning: set address range perms: large range [0x23029000, 0x33529000) (defined)
==28135== Warning: set address range perms: large range [0x2326d000, 0x33529000) (defined)
==28135== Warning: set address range perms: large range [0x23029000, 0x33529000) (noaccess)
==28135== Warning: set address range perms: large range [0x23029000, 0x33529000) (defined)
==28135== Warning: set address range perms: large range [0x2326d000, 0x33529000) (defined)
==28135== Warning: set address range perms: large range [0x23029000, 0x33529000) (noaccess)
==28135==
==28135== HEAP SUMMARY:
==28135== in use at exit: 4,036,487 bytes in 5,770 blocks
==28135== total heap usage: 84,860 allocs, 79,090 frees, 49,789,688 bytes allocated
==28135==
==28135== LEAK SUMMARY:
==28135== definitely lost: 0 bytes in 0 blocks
==28135== indirectly lost: 0 bytes in 0 blocks
==28135== possibly lost: 162,838 bytes in 96 blocks
==28135== still reachable: 3,873,649 bytes in 5,674 blocks
==28135== suppressed: 0 bytes in 0 blocks
==28135== Rerun with --leak-check=full to see details of leaked memory
==28135==
==28135== For counts of detected and suppressed errors, rerun with: -v
==28135== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 2375 from 149)
================================================================================
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.
=== Verification check vc-memory-leak end (2017-12-16 10:03:39) ===