Model Extended KIM ID =
=== Verification check vc-memory-leak start (2018-05-10 19:12:11) ===
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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 : EAM_Dynamo_Fortini_Mendelev_Ru__MO_114077951467_004
Supported species : Ru
random seed = 13
lattice constant (orig) = 3.000
perturbation amplitude = 0.300
number unit cells per side = 2
-----------------------------------------------------------------------------------------------------
MONOATOMIC STRUCTURE (pbc=False)-- Species = Ru (Configuration in file "config-F-Ru.xyz")
-----------------------------------------------------------------------------------------------------
Energy = 177.34809626
Forces:
1 -1.72362659e+01 -5.42895921e+01 -5.68673410e+01
2 -4.93881708e+01 2.70528504e+00 -7.89783001e+01
3 2.20372507e+01 -5.61497427e+01 -2.51829744e+01
4 -5.23375214e+01 2.47601188e+01 2.26373644e+01
5 2.06086122e+01 -8.85819525e+01 -2.51617679e+01
6 4.27030890e+01 -1.97162915e+01 -4.97530715e+01
7 6.09501391e+01 -1.21934867e+02 -6.50803245e+01
8 2.82076642e+01 -1.81275404e+02 -4.87587822e+01
9 -4.18654664e+01 7.63465245e-01 -5.31001647e+01
10 -3.87692416e+01 6.19855808e+01 -8.31729595e+01
11 -1.42229947e+02 2.51224623e+01 -6.11950084e+01
12 -4.00627131e+01 3.74245534e+01 -1.37544584e+00
13 -1.00676598e+01 2.97298822e+01 -2.15085185e+02
14 2.33401152e+01 3.01340870e+01 -2.55014358e+01
15 2.13002293e+02 7.06689552e+01 6.75938001e+00
16 3.17733818e+01 1.51489385e+02 2.90044005e+00
17 -6.42052042e+01 -1.42419313e+01 3.77465932e+01
18 -5.66821985e+01 -5.40575969e+01 6.01056610e+01
19 -5.12623889e+00 -2.21811342e+01 1.97830213e+01
20 -1.44689584e+01 -5.14936337e-01 1.50729702e+01
21 -1.18107024e+01 -6.54934288e+01 4.54772323e+01
22 9.84643722e+01 4.53547788e-01 7.48531348e+01
23 1.27910689e+01 -1.00097214e+01 1.47774342e+01
24 1.45939906e+00 -2.63551983e+01 5.97495785e+01
25 -8.44400577e+01 9.39070996e+00 2.80103485e+01
26 -4.30057231e+01 1.02148987e+02 1.99373182e+01
27 5.19519935e+01 -8.70953117e+01 4.55616084e+01
28 -9.48494352e+01 9.43877954e+01 2.03129354e+01
29 2.80635514e+01 6.72976904e+01 1.49273052e+02
30 5.27059899e+01 6.16184212e+01 5.89302546e+00
31 7.38495542e+01 -1.40150790e+01 8.87050785e+01
32 4.63702913e+00 4.58312612e+01 7.16565843e+01
MONOATOMIC STRUCTURE (pbc=True)-- Species = Ru (Configuration in file "config-T-Ru.xyz")
-----------------------------------------------------------------------------------------------------
Energy = 4247.43080244
Forces:
1 2.84059708e+01 -8.89855232e+01 -2.47206226e+02
2 6.41789190e+01 -3.78616161e+01 -1.34622737e+02
3 3.26489963e+02 1.34500571e+02 1.87809639e+02
4 2.51255394e+02 1.75640907e+02 2.41294608e+02
5 1.72306572e+02 1.20605677e+02 -1.00458298e+02
6 -2.49814428e+02 -8.43176496e+01 -2.86237043e+02
7 -2.34576398e+02 -2.48522939e+02 -2.87856988e+01
8 -3.08116635e+02 -2.99027198e+02 1.81218475e+02
9 -7.80913814e+01 -1.62340903e+02 6.28407060e+01
10 6.86734290e+01 1.32480019e+02 -1.23385035e+02
11 -1.06608918e+02 -2.10127073e+02 2.22843648e+02
12 -2.74035922e+01 -6.74104434e+01 2.45177270e+02
13 -1.29337045e+02 -6.86687276e+01 -4.25903035e+02
14 -2.19695149e+02 1.24156070e+02 -2.14503792e+02
15 2.88708060e+02 1.16202401e+02 2.57793963e+02
16 7.95497036e+01 3.07883179e+02 1.90990367e+02
17 1.46819415e+02 -7.58685827e+01 2.86879491e+02
18 1.17502647e+02 2.39873452e+01 1.11502759e+02
19 1.87457347e+02 2.30050188e+02 -1.17219341e+02
20 9.66188038e+01 -4.11358938e+01 -2.71859477e+02
21 -1.66360943e+02 5.42532163e+01 1.69437192e+02
22 -7.48785614e+01 1.95622281e+02 3.73453191e+02
23 -1.82691266e+02 -3.15213617e+01 -9.33094505e+01
24 -7.59520771e+01 -1.05528465e+02 -2.30674146e+02
25 -3.60313010e+01 -1.38773381e+02 5.23854580e+01
26 4.01208795e+01 1.32668447e+02 -1.42725784e+01
27 3.02489759e+02 -3.54500337e+02 -3.35005807e+02
28 -3.19869878e+02 2.27234371e+02 -2.29311680e+02
29 -8.56711473e+01 -1.12528682e+02 2.91631729e+02
30 -3.82297629e+01 5.04179060e+01 1.17428514e+02
31 -1.61193069e+01 -2.81165881e+01 -4.88129557e+01
32 1.78870927e+02 1.29532787e+02 -9.11197109e+01
================================================================================
VALGRIND OUTPUT
================================================================================
==29595== Memcheck, a memory error detector
==29595== Copyright (C) 2002-2015, and GNU GPL'd, by Julian Seward et al.
==29595== Using Valgrind-3.11.0 and LibVEX; rerun with -h for copyright info
==29595== Command: python runner2.py EAM_Dynamo_Fortini_Mendelev_Ru__MO_114077951467_004
==29595==
==29595==
==29595== HEAP SUMMARY:
==29595== in use at exit: 4,107,219 bytes in 5,848 blocks
==29595== total heap usage: 43,876 allocs, 38,028 frees, 52,006,462 bytes allocated
==29595==
==29595== LEAK SUMMARY:
==29595== definitely lost: 0 bytes in 0 blocks
==29595== indirectly lost: 0 bytes in 0 blocks
==29595== possibly lost: 172,767 bytes in 105 blocks
==29595== still reachable: 3,934,452 bytes in 5,743 blocks
==29595== suppressed: 0 bytes in 0 blocks
==29595== Rerun with --leak-check=full to see details of leaked memory
==29595==
==29595== For counts of detected and suppressed errors, rerun with: -v
==29595== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 2391 from 125)
================================================================================
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 19:12:25) ===