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=== Verification check vc-memory-leak start (2022-11-08 15:57:22) ===
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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_BorovikovMendelevKing_2016_CuZr__MO_097471813275_000
Supported species : Cu Zr
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 = 4.0783893161466835
Forces:
1 -1.15086591e+01 -1.62740838e+01 -2.38793077e+01
2 -5.35919521e+00 9.24547587e+00 -5.22175555e+00
3 1.59950482e+01 -9.02729000e+00 1.42679259e+01
4 -8.27440252e+00 2.04778568e+01 1.03817985e+01
5 5.31871674e-01 -1.47751244e+01 1.86172493e+00
6 7.31716471e+00 6.01977468e+00 -4.05151984e+00
7 -2.10607350e+00 -4.32396937e+01 -4.51101103e+01
8 -5.58392309e+00 -9.89805201e+00 -3.63203403e+00
9 1.05112524e+00 -1.38113954e+01 -1.48749834e+01
10 -6.66345866e+00 7.98285603e+00 -1.32934072e+01
11 -6.47855250e+00 -6.97935762e+00 -1.14649710e+00
12 -6.98419583e+00 1.35701733e+01 1.29367856e+01
13 -1.78781399e+01 -1.57867164e+01 -4.22955604e+01
14 7.53133191e+00 1.73714974e+01 -1.27830974e+01
15 3.39684396e+01 -1.76965456e+01 2.68026763e+01
16 2.00774075e+00 2.67406217e+01 1.65844599e+01
17 -1.54618444e+01 -2.39535265e+01 -2.79269499e+01
18 2.99625809e+00 7.28555343e+00 -7.76384204e+00
19 1.17502900e+01 -8.79442897e+00 1.18296389e+01
20 -5.11218080e+00 2.34084258e+01 2.33308866e+01
21 -7.99403538e+00 -4.49622815e+00 -8.76167786e-01
22 1.35186739e+01 4.21767546e+01 4.52925917e+01
23 3.26379410e+00 -2.03478271e-01 4.38205875e+00
24 4.56601710e+00 3.55218195e-02 6.09183798e+00
25 -9.64545038e+00 -8.91935728e+00 -1.07232730e+01
26 -3.45416950e+00 1.33733505e+01 -8.63384153e+00
27 2.43997388e+01 -3.65613143e+01 1.62537968e+01
28 -3.45308188e+01 3.51051460e+01 4.73090961e+00
29 -4.55755353e+00 -4.36707489e+00 6.42234087e+00
30 4.76752332e+00 9.64763755e+00 1.35122839e+00
31 1.08409041e+01 -7.64339462e+00 9.58881829e+00
32 7.08673159e+00 9.98641646e+00 1.01028683e+01
MONOATOMIC STRUCTURE (pbc=True)-- Species = Cu (Configuration in file "config-T-Cu.xyz")
-----------------------------------------------------------------------------------------------------
Energy = 4.0783893161466835
Forces:
1 -1.15086591e+01 -1.62740838e+01 -2.38793077e+01
2 -5.35919521e+00 9.24547587e+00 -5.22175555e+00
3 1.59950482e+01 -9.02729000e+00 1.42679259e+01
4 -8.27440252e+00 2.04778568e+01 1.03817985e+01
5 5.31871674e-01 -1.47751244e+01 1.86172493e+00
6 7.31716471e+00 6.01977468e+00 -4.05151984e+00
7 -2.10607350e+00 -4.32396937e+01 -4.51101103e+01
8 -5.58392309e+00 -9.89805201e+00 -3.63203403e+00
9 1.05112524e+00 -1.38113954e+01 -1.48749834e+01
10 -6.66345866e+00 7.98285603e+00 -1.32934072e+01
11 -6.47855250e+00 -6.97935762e+00 -1.14649710e+00
12 -6.98419583e+00 1.35701733e+01 1.29367856e+01
13 -1.78781399e+01 -1.57867164e+01 -4.22955604e+01
14 7.53133191e+00 1.73714974e+01 -1.27830974e+01
15 3.39684396e+01 -1.76965456e+01 2.68026763e+01
16 2.00774075e+00 2.67406217e+01 1.65844599e+01
17 -1.54618444e+01 -2.39535265e+01 -2.79269499e+01
18 2.99625809e+00 7.28555343e+00 -7.76384204e+00
19 1.17502900e+01 -8.79442897e+00 1.18296389e+01
20 -5.11218080e+00 2.34084258e+01 2.33308866e+01
21 -7.99403538e+00 -4.49622815e+00 -8.76167786e-01
22 1.35186739e+01 4.21767546e+01 4.52925917e+01
23 3.26379410e+00 -2.03478271e-01 4.38205875e+00
24 4.56601710e+00 3.55218195e-02 6.09183798e+00
25 -9.64545038e+00 -8.91935728e+00 -1.07232730e+01
26 -3.45416950e+00 1.33733505e+01 -8.63384153e+00
27 2.43997388e+01 -3.65613143e+01 1.62537968e+01
28 -3.45308188e+01 3.51051460e+01 4.73090961e+00
29 -4.55755353e+00 -4.36707489e+00 6.42234087e+00
30 4.76752332e+00 9.64763755e+00 1.35122839e+00
31 1.08409041e+01 -7.64339462e+00 9.58881829e+00
32 7.08673159e+00 9.98641646e+00 1.01028683e+01
MONOATOMIC STRUCTURE (pbc=False)-- Species = Zr (Configuration in file "config-F-Zr.xyz")
-----------------------------------------------------------------------------------------------------
Energy = 343.24179857035944
Forces:
1 -1.79343690e+01 -3.81093106e+01 -4.13218815e+01
2 1.57079665e+01 -6.41114762e+00 -4.71151811e+01
3 -4.17098513e+01 -5.69444945e+01 4.08620482e+01
4 -4.81651193e+01 1.56625447e+01 -1.70073362e+01
5 3.64341111e+01 -3.43300951e+01 -9.63814834e+01
6 3.79148770e+01 -2.97448943e+00 -5.96241957e+01
7 5.02680695e+01 -6.66171340e+01 2.40696310e+01
8 -3.31656821e+01 3.75697874e+01 9.96708368e+00
9 -4.51147720e+01 2.00456895e+01 -2.40591176e+01
10 -3.26873085e+01 4.48996916e+01 -4.66289800e+01
11 6.24775607e+00 -1.57923325e+01 5.19433182e+00
12 -3.91524801e+01 4.47450965e+01 -1.04246108e+01
13 1.74120004e+01 -2.70435063e+01 -5.19095882e+01
14 3.46718868e+01 3.16880938e+01 -1.96815821e+01
15 4.08777473e+01 1.14070207e+01 1.66577203e+01
16 5.44879930e+00 4.48706370e+01 2.59273441e+01
17 -5.76989336e+01 -5.78236711e+01 4.25176924e+01
18 3.97030581e+01 1.31384620e+01 2.11431525e+01
19 -2.56218258e+01 -2.60682357e+01 2.60126770e+01
20 -2.23095413e+01 -1.79966330e+01 3.21359668e+01
21 9.96855992e+00 -4.30254176e+01 -1.85877379e+01
22 4.33514973e+01 3.80217145e+00 -1.02867899e+01
23 2.77902053e+01 -3.19418100e+01 2.81416789e+01
24 -1.03858236e+01 2.46548859e+01 5.10843785e+01
25 -5.54175199e+01 1.27342589e+01 1.56987802e+01
26 7.79919666e+00 6.38015922e+01 -3.79324547e+01
27 -9.04456091e+00 -3.50274232e+01 7.27350651e+01
28 -4.03177078e+01 2.86286099e+01 1.90383449e+01
29 1.98075362e+01 -5.84606114e+00 -1.96533723e+01
30 2.09059041e+01 2.27922963e+01 7.36794541e+00
31 5.26771640e+01 -6.14977917e+00 2.36634464e+01
32 1.17391595e+01 5.16607032e+01 3.83970240e+01
MONOATOMIC STRUCTURE (pbc=True)-- Species = Zr (Configuration in file "config-T-Zr.xyz")
-----------------------------------------------------------------------------------------------------
Energy = 343.24179857035944
Forces:
1 -1.79343690e+01 -3.81093106e+01 -4.13218815e+01
2 1.57079665e+01 -6.41114762e+00 -4.71151811e+01
3 -4.17098513e+01 -5.69444945e+01 4.08620482e+01
4 -4.81651193e+01 1.56625447e+01 -1.70073362e+01
5 3.64341111e+01 -3.43300951e+01 -9.63814834e+01
6 3.79148770e+01 -2.97448943e+00 -5.96241957e+01
7 5.02680695e+01 -6.66171340e+01 2.40696310e+01
8 -3.31656821e+01 3.75697874e+01 9.96708368e+00
9 -4.51147720e+01 2.00456895e+01 -2.40591176e+01
10 -3.26873085e+01 4.48996916e+01 -4.66289800e+01
11 6.24775607e+00 -1.57923325e+01 5.19433182e+00
12 -3.91524801e+01 4.47450965e+01 -1.04246108e+01
13 1.74120004e+01 -2.70435063e+01 -5.19095882e+01
14 3.46718868e+01 3.16880938e+01 -1.96815821e+01
15 4.08777473e+01 1.14070207e+01 1.66577203e+01
16 5.44879930e+00 4.48706370e+01 2.59273441e+01
17 -5.76989336e+01 -5.78236711e+01 4.25176924e+01
18 3.97030581e+01 1.31384620e+01 2.11431525e+01
19 -2.56218258e+01 -2.60682357e+01 2.60126770e+01
20 -2.23095413e+01 -1.79966330e+01 3.21359668e+01
21 9.96855992e+00 -4.30254176e+01 -1.85877379e+01
22 4.33514973e+01 3.80217145e+00 -1.02867899e+01
23 2.77902053e+01 -3.19418100e+01 2.81416789e+01
24 -1.03858236e+01 2.46548859e+01 5.10843785e+01
25 -5.54175199e+01 1.27342589e+01 1.56987802e+01
26 7.79919666e+00 6.38015922e+01 -3.79324547e+01
27 -9.04456091e+00 -3.50274232e+01 7.27350651e+01
28 -4.03177078e+01 2.86286099e+01 1.90383449e+01
29 1.98075362e+01 -5.84606114e+00 -1.96533723e+01
30 2.09059041e+01 2.27922963e+01 7.36794541e+00
31 5.26771640e+01 -6.14977917e+00 2.36634464e+01
32 1.17391595e+01 5.16607032e+01 3.83970240e+01
MIXED STRUCTURE (pbc=False)-- Species = Cu Zr (Configuration in file "config-F-CuZr.xyz")
-----------------------------------------------------------------------------------------------------
Energy = 473.58176652066675
Forces:
1 -1.40547269e+01 -1.76682587e+01 -2.16362392e+01
2 -2.50629672e+01 -3.00952530e+01 -7.20461079e+01
3 -1.90034353e+01 -5.92916943e+01 -2.02508234e+01
4 -8.23847804e+01 -3.33685971e+01 -3.09148714e+01
5 -1.85497979e+01 -8.60132486e+01 -8.52305146e+01
6 4.39680431e+01 3.10458777e+01 -5.46731090e+01
7 8.97559169e+01 -1.00561207e+02 1.63103849e+01
8 4.48860666e+01 -6.11942715e+01 -7.16730840e+01
9 -5.86194531e+01 -2.50728921e+01 -3.17112188e+01
10 3.14554394e+01 5.24949307e+01 -2.31472189e+01
11 -9.58965038e+01 7.89910130e+01 2.37270902e+01
12 -1.02456278e+02 2.13431689e+01 -7.28306477e+01
13 3.47978312e+01 2.91360263e+01 -1.09938032e+02
14 3.75908436e+01 4.43122610e+01 -5.13563010e+01
15 1.11198306e+02 2.43131381e+01 -1.44427274e+01
16 -3.33709636e+01 8.00109779e+01 -1.46034047e+01
17 -3.14957726e+01 -3.67618058e+01 1.41741515e+00
18 -3.68707052e+01 -2.86218149e+01 3.00198939e+01
19 -6.30788939e+00 -1.76229755e+01 2.63505483e+01
20 -2.94928965e+01 -1.79685777e+00 3.36752104e+01
21 -6.39474956e+00 -1.05623106e+02 1.30158104e+01
22 1.17730145e+02 3.52527904e+01 -4.16153702e+01
23 1.87018509e+01 -1.10691413e+02 9.36793538e+01
24 3.43139702e+01 -6.62965880e+01 1.98383099e+02
25 -9.73342915e+01 2.05979569e+01 2.49920743e+01
26 8.09012830e+01 7.36034466e+01 6.91333732e+01
27 -5.98937421e+01 1.57628470e+00 7.55681003e+01
28 -3.35966450e+01 3.13335124e+01 3.54267258e+01
29 -1.09811453e+01 1.10453426e+02 -3.21873812e+01
30 6.11530454e+01 5.95787745e+01 3.06317160e+01
31 3.30364478e+01 2.92089994e+00 2.84618700e+01
32 2.22775545e+01 8.37154972e+01 4.74643859e+01
MIXED STRUCTURE (pbc=True)-- Species = Cu Zr (Configuration in file "config-T-CuZr.xyz")
-----------------------------------------------------------------------------------------------------
Energy = 1534.8751250186397
Forces:
1 -3.77803394e+01 -2.22612298e+01 -2.53262222e+01
2 -5.15579030e+01 -6.80424007e+01 -7.48535719e+01
3 -4.90159225e+01 -5.80822335e+01 -8.73543787e+01
4 -3.55112469e+01 -5.77251014e+01 -5.18155089e+01
5 3.22370096e+01 -1.70724242e+02 -5.51541789e+01
6 6.51389423e+01 5.05638517e+01 -9.14136497e+01
7 7.08981356e+01 -1.63609187e+02 2.42319305e+01
8 2.96783948e+01 -5.21474499e+01 -6.15919802e+01
9 -7.86255831e+01 -2.54218731e+01 -3.74265493e+01
10 2.74606734e+01 7.75245642e+01 -1.32315121e+01
11 -1.06580972e+02 9.88316416e+01 9.46443808e+01
12 -1.48254967e+02 4.07403613e+01 -1.22882341e+02
13 6.95646474e+01 2.36434464e+01 -9.90119876e+01
14 3.56334385e+01 1.37628327e+02 -4.58409938e+01
15 1.18026260e+02 3.10450734e+01 -2.85385599e+01
16 -1.13386553e+01 5.78706652e+01 2.65974841e+00
17 4.54143585e+01 -9.60505206e+01 3.06544055e+01
18 3.58833322e+01 8.22084909e+00 1.77568835e-01
19 -2.70122743e+01 -1.70466470e+01 5.62982994e+01
20 -1.40691520e+01 5.76005955e+00 1.08607951e+02
21 4.45668059e+01 -1.19885725e+02 2.41913203e+01
22 -3.76892270e+01 -7.39178425e+00 -9.62707804e+01
23 -1.70977777e+01 -1.84873959e+02 1.00726046e+02
24 4.95841738e+01 -7.96725150e+01 2.41262723e+02
25 -1.07625938e+02 5.82350330e+01 2.62427091e+01
26 1.70942172e+02 1.68774824e+01 1.36334861e+02
27 -5.69825377e+01 8.08513854e+01 4.66050792e+00
28 -2.40959811e+01 4.01790614e+01 4.32417955e+01
29 -5.86931315e+01 1.92224493e+02 -7.84800533e+01
30 -3.53898006e+00 1.04976506e+02 2.60193950e+01
31 4.26664968e+01 -1.87071450e+01 6.17380098e+01
32 2.77757478e+01 1.16469212e+02 -1.24993834e+01
ERROR: Unable to perform verification check.
Message = [Errno 12] Cannot allocate memory
=== Verification check vc-memory-leak end (2022-11-08 15:57:25) ===