Model Extended KIM ID =
=== Verification check vc-memory-leak start (2018-05-10 19:48:09) ===
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!! !!!!!
!!!!! 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 : EAM_Dynamo_Mishin_Farkas_Al__MO_651801486679_004
Supported species : Al
random seed = 13
lattice constant (orig) = 3.000
perturbation amplitude = 0.300
number unit cells per side = 2
-----------------------------------------------------------------------------------------------------
MONOATOMIC STRUCTURE (pbc=False)-- Species = Al (Configuration in file "config-F-Al.xyz")
-----------------------------------------------------------------------------------------------------
Energy = 15.7487619939
Forces:
1 -3.32162829e+00 -2.71300473e+00 -3.36275997e+00
2 1.54870680e+00 -1.27661339e+00 -6.91170371e+00
3 2.36517018e+00 -6.00637134e+00 5.90550082e-01
4 -6.54962548e+00 2.23909375e+00 -1.91220677e-01
5 -1.06655748e+00 -4.38847849e+00 -3.37430979e+00
6 3.91511554e+00 1.32338062e+00 -3.92407177e+00
7 3.38281875e+00 -3.63218385e+00 -2.44534997e-01
8 -1.00221356e+00 -2.00452495e+00 1.11382402e+00
9 -4.44346632e+00 -3.71808845e-01 -5.60229590e+00
10 5.99649597e-01 6.29311888e+00 -4.91648454e+00
11 -2.64053310e+00 -2.60777313e+00 -4.18960002e-01
12 -5.78211171e+00 4.78440533e+00 1.07238926e+00
13 2.13438730e+00 -1.63799725e+00 -7.32136027e+00
14 4.45057203e+00 3.92477612e+00 -4.84225909e+00
15 6.95308202e+00 -1.92040473e+00 -6.87300936e-01
16 -2.10716903e+00 8.77559991e+00 -6.59961069e-01
17 -5.81740293e+00 -4.53392701e+00 1.98390481e-01
18 1.68180667e+00 5.03820659e-01 -5.29383420e-01
19 2.36383462e+00 -5.91260518e+00 3.58787028e+00
20 -4.53291675e+00 2.10374374e+00 5.28772190e+00
21 -2.22323723e+00 -4.54992724e+00 8.40261076e-01
22 5.67891061e+00 1.04095244e+00 5.70116811e-01
23 2.61351553e+00 -1.90940955e+00 4.18526096e+00
24 9.64957451e-01 -8.50099041e-01 4.75955568e+00
25 -6.20728830e+00 -1.12678257e+00 -7.12275618e-01
26 5.08466649e-01 7.22826243e+00 -1.14052948e+00
27 -1.09941210e+00 -1.37663672e+00 6.09639030e+00
28 -4.54191307e+00 3.00072982e+00 3.47791240e+00
29 3.69225285e-01 -3.17289609e+00 1.97508215e+00
30 5.34551105e+00 5.09109470e+00 1.76372007e+00
31 4.76341606e+00 -9.09560949e-01 4.24298153e+00
32 1.69632920e+00 4.59202666e+00 5.07738422e+00
* Error: at line 626 in EAM_Implementation.hpp
Message: Particle has density value outside of embedding function interpolation domain
KIM_STATUS_MSG: unsuccessful completion
================================================================================
VALGRIND OUTPUT
================================================================================
==12788== Memcheck, a memory error detector
==12788== Copyright (C) 2002-2015, and GNU GPL'd, by Julian Seward et al.
==12788== Using Valgrind-3.11.0 and LibVEX; rerun with -h for copyright info
==12788== Command: python runner2.py EAM_Dynamo_Mishin_Farkas_Al__MO_651801486679_004
==12788==
* Error: at line 626 in EAM_Implementation.hpp
Message: Particle has density value outside of embedding function interpolation domain
KIM_STATUS_MSG: unsuccessful completion
==12788==
==12788== HEAP SUMMARY:
==12788== in use at exit: 4,103,731 bytes in 5,840 blocks
==12788== total heap usage: 47,943 allocs, 42,103 frees, 52,179,301 bytes allocated
==12788==
==12788== LEAK SUMMARY:
==12788== definitely lost: 0 bytes in 0 blocks
==12788== indirectly lost: 0 bytes in 0 blocks
==12788== possibly lost: 172,767 bytes in 105 blocks
==12788== still reachable: 3,930,964 bytes in 5,735 blocks
==12788== suppressed: 0 bytes in 0 blocks
==12788== Rerun with --leak-check=full to see details of leaked memory
==12788==
==12788== For counts of detected and suppressed errors, rerun with: -v
==12788== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 2376 from 123)
================================================================================
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 (2018-05-10 19:48:27) ===