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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 and Daniel S. Karls
-----------------------------------------------------------------------------------------------------
Results for KIM Model : EAM_Dynamo_MendelevUnderwoodAckland_2016pset2_Ti__MO_938747375043_000
Supported species : Ti
random seed = 13
lattice constant (orig) = 3.000
perturbation amplitude = 0.300
number unit cells per side = 2
-----------------------------------------------------------------------------------------------------
MONOATOMIC STRUCTURE (pbc=False)-- Species = Ti (Configuration in file "config-F-Ti.xyz")
-----------------------------------------------------------------------------------------------------
Energy = 21827.711025574852
Forces:
1 -8.11839342e+02 -8.26386651e+02 -7.41984138e+02
2 -1.90901743e+03 -3.13519316e+03 -5.56979660e+03
3 -1.82032477e+03 -4.44703669e+03 -1.24794495e+03
4 -4.14545797e+03 -1.70642695e+03 -1.41835130e+03
5 -2.05753239e+02 -3.33580486e+03 -2.56021244e+03
6 2.49309084e+03 -1.85545011e+03 -3.18448013e+03
7 3.66621569e+03 -5.46529466e+03 -1.64951160e+02
8 4.92212399e+03 -1.11023463e+04 -5.72114530e+03
9 -3.22203442e+03 3.96017389e+02 -3.43548240e+03
10 -2.11270659e+03 4.26978884e+03 -4.38292532e+03
11 -1.13292711e+04 1.22395905e+03 -5.61296310e+03
12 -3.17570956e+03 2.43251864e+03 -9.50965045e+02
13 2.98064986e+03 2.52936186e+03 -1.21712372e+04
14 2.44915464e+03 2.43204003e+03 -2.29156236e+03
15 1.31002858e+04 3.23159824e+03 -3.77776587e+03
16 1.04782113e+03 1.38794580e+04 -2.99408097e+03
17 -1.97384250e+03 -1.66121789e+03 2.73502338e+02
18 -5.56858480e+03 -5.77495614e+03 5.19474720e+03
19 -5.58879410e+02 -1.86609759e+03 1.77715427e+03
20 -1.93836675e+03 -4.18644924e+02 1.67816192e+03
21 1.04709416e+03 -5.15910578e+03 2.45573304e+03
22 6.35802984e+03 -3.20724698e+03 2.73404324e+03
23 8.73144358e+02 -8.47370203e+02 1.30528175e+03
24 4.94011422e+02 -1.92242745e+03 4.82795350e+03
25 -6.63338094e+03 2.03233111e+03 2.65034341e+03
26 -3.94985548e+03 7.42403708e+03 4.06040252e+03
27 -2.42503447e+03 8.92288302e+02 4.78676086e+03
28 -7.66033422e+02 4.94019084e+02 7.43045346e+02
29 4.09384710e+03 4.24451658e+03 1.20469667e+04
30 4.61934136e+03 4.11620250e+03 1.91653214e+03
31 4.03879584e+03 3.55673063e+02 5.28328982e+03
32 3.62486199e+02 2.77719658e+03 4.49193017e+03
MONOATOMIC STRUCTURE (pbc=True)-- Species = Ti (Configuration in file "config-T-Ti.xyz")
-----------------------------------------------------------------------------------------------------
Energy = 21827.711025574852
Forces:
1 -8.11839342e+02 -8.26386651e+02 -7.41984138e+02
2 -1.90901743e+03 -3.13519316e+03 -5.56979660e+03
3 -1.82032477e+03 -4.44703669e+03 -1.24794495e+03
4 -4.14545797e+03 -1.70642695e+03 -1.41835130e+03
5 -2.05753239e+02 -3.33580486e+03 -2.56021244e+03
6 2.49309084e+03 -1.85545011e+03 -3.18448013e+03
7 3.66621569e+03 -5.46529466e+03 -1.64951160e+02
8 4.92212399e+03 -1.11023463e+04 -5.72114530e+03
9 -3.22203442e+03 3.96017389e+02 -3.43548240e+03
10 -2.11270659e+03 4.26978884e+03 -4.38292532e+03
11 -1.13292711e+04 1.22395905e+03 -5.61296310e+03
12 -3.17570956e+03 2.43251864e+03 -9.50965045e+02
13 2.98064986e+03 2.52936186e+03 -1.21712372e+04
14 2.44915464e+03 2.43204003e+03 -2.29156236e+03
15 1.31002858e+04 3.23159824e+03 -3.77776587e+03
16 1.04782113e+03 1.38794580e+04 -2.99408097e+03
17 -1.97384250e+03 -1.66121789e+03 2.73502338e+02
18 -5.56858480e+03 -5.77495614e+03 5.19474720e+03
19 -5.58879410e+02 -1.86609759e+03 1.77715427e+03
20 -1.93836675e+03 -4.18644924e+02 1.67816192e+03
21 1.04709416e+03 -5.15910578e+03 2.45573304e+03
22 6.35802984e+03 -3.20724698e+03 2.73404324e+03
23 8.73144358e+02 -8.47370203e+02 1.30528175e+03
24 4.94011422e+02 -1.92242745e+03 4.82795350e+03
25 -6.63338094e+03 2.03233111e+03 2.65034341e+03
26 -3.94985548e+03 7.42403708e+03 4.06040252e+03
27 -2.42503447e+03 8.92288302e+02 4.78676086e+03
28 -7.66033422e+02 4.94019084e+02 7.43045346e+02
29 4.09384710e+03 4.24451658e+03 1.20469667e+04
30 4.61934136e+03 4.11620250e+03 1.91653214e+03
31 4.03879584e+03 3.55673063e+02 5.28328982e+03
32 3.62486199e+02 2.77719658e+03 4.49193017e+03
================================================================================
VALGRIND OUTPUT
================================================================================
==18835== Memcheck, a memory error detector
==18835== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al.
==18835== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info
==18835== Command: python runner2.py EAM_Dynamo_MendelevUnderwoodAckland_2016pset2_Ti__MO_938747375043_000
==18835==
==19611== Warning: invalid file descriptor 4096 in syscall close()
==19611== Warning: invalid file descriptor 4097 in syscall close()
==19611== Warning: invalid file descriptor 4098 in syscall close()
==19611== Warning: invalid file descriptor 4099 in syscall close()
==19611== Use --log-fd=<number> to select an alternative log fd.
==19611== Warning: invalid file descriptor 4100 in syscall close()
==19611== Warning: invalid file descriptor 4101 in syscall close()
==18835==
==18835== HEAP SUMMARY:
==18835== in use at exit: 2,202,999 bytes in 1,640 blocks
==18835== total heap usage: 45,911 allocs, 44,271 frees, 69,547,957 bytes allocated
==18835==
==18835== LEAK SUMMARY:
==18835== definitely lost: 0 bytes in 0 blocks
==18835== indirectly lost: 0 bytes in 0 blocks
==18835== possibly lost: 198,622 bytes in 101 blocks
==18835== still reachable: 2,004,345 bytes in 1,538 blocks
==18835== suppressed: 32 bytes in 1 blocks
==18835== Rerun with --leak-check=full to see details of leaked memory
==18835==
==18835== For lists of detected and suppressed errors, rerun with: -s
==18835== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 8916 from 546)
================================================================================
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.