!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 and Daniel S. Karls ----------------------------------------------------------------------------------------------------- Results for KIM Model : SW_HauchHollandMarder_1999Brittle_Si__MO_119167353542_005 Supported species : Si random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Si (Configuration in file "config-F-Si.xyz") ----------------------------------------------------------------------------------------------------- Energy = 1241.7783059975372 Forces: 1 -3.84953800e+01 -3.49848608e+01 -4.20454514e+01 2 -1.94267709e+01 -2.78125339e+01 -1.11396792e+02 3 -2.90588233e+01 -1.08619691e+02 -2.54477350e+01 4 -9.76782749e+01 -1.48900072e+01 -9.69731545e+00 5 3.27751749e+00 -7.56402127e+01 -6.36582671e+01 6 6.73161473e+01 -2.23928649e+01 -8.29152178e+01 7 7.35211565e+01 -1.07533327e+02 -3.35002353e+01 8 8.58307749e+00 -5.37070272e+01 -1.60640070e+01 9 -6.03553392e+01 9.04281571e+00 -8.58136661e+01 10 -3.36494533e+01 8.55373660e+01 -9.32291504e+01 11 -7.57072920e+01 -4.15161902e+00 -3.47327451e+01 12 -8.20124682e+01 6.71055951e+01 -1.86176093e+01 13 2.90684162e+01 2.26346153e+01 -1.57270551e+02 14 5.26469721e+01 3.87424000e+01 -4.72738986e+01 15 1.63849642e+02 3.71323227e+01 -2.79787085e+01 16 2.27938451e+01 1.59475206e+02 -3.18817495e+01 17 -6.37886367e+01 -4.19017340e+01 1.74000056e+01 18 -3.02035874e+01 -3.33088831e+01 2.35883525e+01 19 -5.72248058e+00 -6.27197297e+01 6.29055891e+01 20 -5.94093217e+01 -1.53234490e+01 4.60536511e+01 21 2.12907964e+01 -1.01819480e+02 4.09197659e+01 22 1.19209883e+02 -2.08916354e+01 4.35957432e+01 23 3.64756719e+01 -2.06665024e+01 4.52508679e+01 24 8.81997585e+00 -2.30197483e+01 1.10322102e+02 25 -1.27564127e+02 1.34266083e+01 3.23641301e+01 26 -3.94951865e+01 1.28615367e+02 3.69062331e+01 27 -4.89695586e+01 -1.36432017e+00 1.07132141e+02 28 -5.65148407e+01 3.28013857e+01 3.26383770e+01 29 4.36425947e+01 2.69468979e+01 7.04753610e+01 30 9.81062342e+01 7.64951649e+01 3.02787772e+01 31 9.00196572e+01 6.55704558e+00 9.01328167e+01 32 2.94299536e+01 6.62348359e+01 9.15591848e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Si (Configuration in file "config-T-Si.xyz") ----------------------------------------------------------------------------------------------------- Energy = 1241.7783059975372 Forces: 1 -3.84953800e+01 -3.49848608e+01 -4.20454514e+01 2 -1.94267709e+01 -2.78125339e+01 -1.11396792e+02 3 -2.90588233e+01 -1.08619691e+02 -2.54477350e+01 4 -9.76782749e+01 -1.48900072e+01 -9.69731545e+00 5 3.27751749e+00 -7.56402127e+01 -6.36582671e+01 6 6.73161473e+01 -2.23928649e+01 -8.29152178e+01 7 7.35211565e+01 -1.07533327e+02 -3.35002353e+01 8 8.58307749e+00 -5.37070272e+01 -1.60640070e+01 9 -6.03553392e+01 9.04281571e+00 -8.58136661e+01 10 -3.36494533e+01 8.55373660e+01 -9.32291504e+01 11 -7.57072920e+01 -4.15161902e+00 -3.47327451e+01 12 -8.20124682e+01 6.71055951e+01 -1.86176093e+01 13 2.90684162e+01 2.26346153e+01 -1.57270551e+02 14 5.26469721e+01 3.87424000e+01 -4.72738986e+01 15 1.63849642e+02 3.71323227e+01 -2.79787085e+01 16 2.27938451e+01 1.59475206e+02 -3.18817495e+01 17 -6.37886367e+01 -4.19017340e+01 1.74000056e+01 18 -3.02035874e+01 -3.33088831e+01 2.35883525e+01 19 -5.72248058e+00 -6.27197297e+01 6.29055891e+01 20 -5.94093217e+01 -1.53234490e+01 4.60536511e+01 21 2.12907964e+01 -1.01819480e+02 4.09197659e+01 22 1.19209883e+02 -2.08916354e+01 4.35957432e+01 23 3.64756719e+01 -2.06665024e+01 4.52508679e+01 24 8.81997585e+00 -2.30197483e+01 1.10322102e+02 25 -1.27564127e+02 1.34266083e+01 3.23641301e+01 26 -3.94951865e+01 1.28615367e+02 3.69062331e+01 27 -4.89695586e+01 -1.36432017e+00 1.07132141e+02 28 -5.65148407e+01 3.28013857e+01 3.26383770e+01 29 4.36425947e+01 2.69468979e+01 7.04753610e+01 30 9.81062342e+01 7.64951649e+01 3.02787772e+01 31 9.00196572e+01 6.55704558e+00 9.01328167e+01 32 2.94299536e+01 6.62348359e+01 9.15591848e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==50380== Memcheck, a memory error detector ==50380== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==50380== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==50380== Command: python runner2.py SW_HauchHollandMarder_1999Brittle_Si__MO_119167353542_005 ==50380== ==51599== Warning: invalid file descriptor 255988 in syscall close() ==51599== Warning: invalid file descriptor 255989 in syscall close() ==51599== Warning: invalid file descriptor 255990 in syscall close() ==51599== Warning: invalid file descriptor 255991 in syscall close() ==51599== Use --log-fd= to select an alternative log fd. ==51599== Warning: invalid file descriptor 255992 in syscall close() ==51599== Warning: invalid file descriptor 255993 in syscall close() ==50380== ==50380== HEAP SUMMARY: ==50380== in use at exit: 2,257,559 bytes in 1,700 blocks ==50380== total heap usage: 46,075 allocs, 44,375 frees, 49,749,754 bytes allocated ==50380== ==50380== LEAK SUMMARY: ==50380== definitely lost: 0 bytes in 0 blocks ==50380== indirectly lost: 0 bytes in 0 blocks ==50380== possibly lost: 180,827 bytes in 103 blocks ==50380== still reachable: 2,076,700 bytes in 1,596 blocks ==50380== of which reachable via heuristic: ==50380== stdstring : 38 bytes in 1 blocks ==50380== suppressed: 32 bytes in 1 blocks ==50380== Rerun with --leak-check=full to see details of leaked memory ==50380== ==50380== For lists of detected and suppressed errors, rerun with: -s ==50380== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 7909 from 570) ================================================================================ 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.