Enter a model name: === Verification check vc-memory-leak start (2019-08-08 23:30:17) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Al__MO_279544746097_002 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 = 200.71732097357682 Forces: 1 -6.93890765e+00 -1.08087086e+01 -1.18077800e+01 2 -3.87906462e+00 4.69425739e+00 -1.27744029e+01 3 6.52730193e+00 -9.87754013e+00 -1.66166792e+00 4 -1.06340457e+01 5.85314903e+00 4.62472095e+00 5 -1.92714100e+00 -1.80881597e+01 -6.97892621e+00 6 1.21620690e+01 6.05201587e+00 -1.33159712e+01 7 1.16174399e+01 -2.80714256e+01 -1.70252971e+01 8 -1.66215614e+01 -1.07845975e+01 2.68196190e-01 9 -1.59605943e+01 -8.68928671e+00 -2.28067703e+01 10 6.06223393e-01 2.50409565e+01 -2.15519444e+01 11 -4.57028715e+00 -1.82689782e+01 1.14634328e+01 12 -1.64367954e+01 1.87992854e+01 4.07851359e+00 13 -2.52542952e+00 -1.19998111e+01 -4.17533231e+01 14 1.14210005e+01 1.31667212e+01 -9.69777340e+00 15 3.82242961e+01 -5.36470795e+00 6.33670092e+00 16 2.85764899e+00 3.35255287e+01 1.02890836e+01 17 -2.25722279e+01 -1.54822967e+01 -6.52053139e+00 18 1.29816207e+01 1.89054450e+01 -1.80071473e+01 19 6.57731313e+00 -2.59305425e+01 1.51490617e+01 20 -1.83528091e+01 9.09460700e+00 1.95181308e+01 21 -1.27317754e+01 -1.45209665e+01 6.24232173e+00 22 2.34081403e+01 1.97182130e+01 1.65908782e+01 23 6.96103699e+00 -3.54936944e+00 1.15495811e+01 24 8.74615551e+00 6.56151202e+00 1.24561481e+01 25 -1.41265275e+01 -7.32239724e+00 5.99071726e+00 26 -5.98164600e+00 2.35555898e+01 -9.24620078e+00 27 7.12328937e+00 -2.66710983e+01 1.58904461e+01 28 -2.60353848e+01 2.08453228e+01 7.61589661e+00 29 -8.99086154e+00 -1.36071164e+01 8.65812135e+00 30 1.33529325e+01 1.82206583e+01 -5.97002740e-01 31 1.69565319e+01 -1.21115186e+01 1.73675137e+01 32 8.76205875e+00 1.71152592e+01 1.96552742e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Al (Configuration in file "config-T-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 200.71732097357682 Forces: 1 -6.93890765e+00 -1.08087086e+01 -1.18077800e+01 2 -3.87906462e+00 4.69425739e+00 -1.27744029e+01 3 6.52730193e+00 -9.87754013e+00 -1.66166792e+00 4 -1.06340457e+01 5.85314903e+00 4.62472095e+00 5 -1.92714100e+00 -1.80881597e+01 -6.97892621e+00 6 1.21620690e+01 6.05201587e+00 -1.33159712e+01 7 1.16174399e+01 -2.80714256e+01 -1.70252971e+01 8 -1.66215614e+01 -1.07845975e+01 2.68196190e-01 9 -1.59605943e+01 -8.68928671e+00 -2.28067703e+01 10 6.06223393e-01 2.50409565e+01 -2.15519444e+01 11 -4.57028715e+00 -1.82689782e+01 1.14634328e+01 12 -1.64367954e+01 1.87992854e+01 4.07851359e+00 13 -2.52542952e+00 -1.19998111e+01 -4.17533231e+01 14 1.14210005e+01 1.31667212e+01 -9.69777340e+00 15 3.82242961e+01 -5.36470795e+00 6.33670092e+00 16 2.85764899e+00 3.35255287e+01 1.02890836e+01 17 -2.25722279e+01 -1.54822967e+01 -6.52053139e+00 18 1.29816207e+01 1.89054450e+01 -1.80071473e+01 19 6.57731313e+00 -2.59305425e+01 1.51490617e+01 20 -1.83528091e+01 9.09460700e+00 1.95181308e+01 21 -1.27317754e+01 -1.45209665e+01 6.24232173e+00 22 2.34081403e+01 1.97182130e+01 1.65908782e+01 23 6.96103699e+00 -3.54936944e+00 1.15495811e+01 24 8.74615551e+00 6.56151202e+00 1.24561481e+01 25 -1.41265275e+01 -7.32239724e+00 5.99071726e+00 26 -5.98164600e+00 2.35555898e+01 -9.24620078e+00 27 7.12328937e+00 -2.66710983e+01 1.58904461e+01 28 -2.60353848e+01 2.08453228e+01 7.61589661e+00 29 -8.99086154e+00 -1.36071164e+01 8.65812135e+00 30 1.33529325e+01 1.82206583e+01 -5.97002740e-01 31 1.69565319e+01 -1.21115186e+01 1.73675137e+01 32 8.76205875e+00 1.71152592e+01 1.96552742e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==62173== Memcheck, a memory error detector ==62173== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==62173== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==62173== Command: python runner2.py Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Al__MO_279544746097_002 ==62173== ==63436== Warning: invalid file descriptor 1048564 in syscall close() ==63436== Warning: invalid file descriptor 1048565 in syscall close() ==63436== Warning: invalid file descriptor 1048566 in syscall close() ==63436== Warning: invalid file descriptor 1048567 in syscall close() ==63436== Use --log-fd= to select an alternative log fd. ==63436== Warning: invalid file descriptor 1048568 in syscall close() ==63436== Warning: invalid file descriptor 1048569 in syscall close() ==63438== Warning: invalid file descriptor 1048564 in syscall close() ==63438== Warning: invalid file descriptor 1048565 in syscall close() ==63438== Warning: invalid file descriptor 1048566 in syscall close() ==63438== Warning: invalid file descriptor 1048567 in syscall close() ==63438== Use --log-fd= to select an alternative log fd. ==63438== Warning: invalid file descriptor 1048568 in syscall close() ==63438== Warning: invalid file descriptor 1048569 in syscall close() ==63476== Warning: invalid file descriptor 1048564 in syscall close() ==63476== Warning: invalid file descriptor 1048565 in syscall close() ==63476== Warning: invalid file descriptor 1048566 in syscall close() ==63476== Warning: invalid file descriptor 1048567 in syscall close() ==63476== Use --log-fd= to select an alternative log fd. ==63476== Warning: invalid file descriptor 1048568 in syscall close() ==63476== Warning: invalid file descriptor 1048569 in syscall close() ==63483== Warning: invalid file descriptor 1048564 in syscall close() ==63483== Warning: invalid file descriptor 1048565 in syscall close() ==63483== Warning: invalid file descriptor 1048566 in syscall close() ==63483== Warning: invalid file descriptor 1048567 in syscall close() ==63483== Use --log-fd= to select an alternative log fd. ==63483== Warning: invalid file descriptor 1048568 in syscall close() ==63483== Warning: invalid file descriptor 1048569 in syscall close() ==63486== Warning: invalid file descriptor 1048564 in syscall close() ==63486== Warning: invalid file descriptor 1048565 in syscall close() ==63486== Warning: invalid file descriptor 1048566 in syscall close() ==63486== Warning: invalid file descriptor 1048567 in syscall close() ==63486== Use --log-fd= to select an alternative log fd. ==63486== Warning: invalid file descriptor 1048568 in syscall close() ==63486== Warning: invalid file descriptor 1048569 in syscall close() ==63492== Warning: invalid file descriptor 1048564 in syscall close() ==63492== Warning: invalid file descriptor 1048565 in syscall close() ==63492== Warning: invalid file descriptor 1048566 in syscall close() ==63492== Warning: invalid file descriptor 1048567 in syscall close() ==63492== Use --log-fd= to select an alternative log fd. ==63492== Warning: invalid file descriptor 1048568 in syscall close() ==63492== Warning: invalid file descriptor 1048569 in syscall close() ==62173== ==62173== HEAP SUMMARY: ==62173== in use at exit: 1,718,292 bytes in 1,321 blocks ==62173== total heap usage: 31,396 allocs, 30,075 frees, 38,295,244 bytes allocated ==62173== ==62173== LEAK SUMMARY: ==62173== definitely lost: 0 bytes in 0 blocks ==62173== indirectly lost: 0 bytes in 0 blocks ==62173== possibly lost: 178,943 bytes in 97 blocks ==62173== still reachable: 1,539,349 bytes in 1,224 blocks ==62173== suppressed: 0 bytes in 0 blocks ==62173== Rerun with --leak-check=full to see details of leaked memory ==62173== ==62173== For counts of detected and suppressed errors, rerun with: -v ==62173== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 16378 from 614) ================================================================================ 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 (2019-08-08 23:30:38) ===