Enter a model name: === Verification check vc-memory-leak start (2022-11-30 10:16:40) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_LeeHwang_2012LDA_Si__MO_517338295712_001 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 = 465.8530424436218 Forces: 1 -1.84435595e+01 -1.50689631e+01 -1.75317946e+01 2 -4.82189312e+00 -5.68294864e-01 -4.39592457e+01 3 -8.91669295e+00 -4.53240299e+01 -7.72808933e+00 4 -4.31021285e+01 -5.64520254e+00 -4.78995917e+00 5 1.01771453e+01 -2.81530203e+01 -2.26089049e+01 6 2.21638069e+01 -7.29153790e+00 -2.88122224e+01 7 2.62448918e+01 -3.70318452e+01 -1.61981649e+01 8 1.86876798e+00 -2.50721902e+01 -6.20516130e+00 9 -2.72370682e+01 -2.60166928e+00 -3.96592276e+01 10 -2.87921778e+01 4.14353119e+01 -4.82195563e+01 11 -3.12366857e+01 -8.08658370e+00 -8.60461988e+00 12 -3.66556891e+01 2.95660263e+01 -4.17185825e+00 13 2.04027184e+01 -2.03826764e+01 -9.77628218e+01 14 3.35891355e+01 2.09911315e+01 -2.21404736e+01 15 7.41216367e+01 1.02971780e+00 -8.45329902e+00 16 3.85341840e+00 8.83276963e+01 2.91093613e+01 17 -3.11138550e+01 -2.47462976e+01 1.81419708e+00 18 -1.67317727e+00 -1.15120441e+01 4.85157138e+00 19 2.45125798e+00 -2.83742916e+01 3.00969818e+01 20 -2.93380677e+01 4.46334424e-01 2.60667167e+01 21 7.07998554e+00 -3.80101160e+01 1.95094044e+01 22 4.38240401e+01 -7.33028815e+00 1.87924508e+01 23 8.29756513e+00 -4.78280389e+00 1.61311236e+01 24 7.51565633e+00 -1.19325176e+01 3.83914021e+01 25 -4.85273194e+01 8.29335717e+00 8.42526864e+00 26 -1.86050977e+01 5.47892811e+01 7.71253586e+00 27 -9.73803870e+00 -1.13578713e+01 4.69226232e+01 28 -3.64652948e+01 2.53506373e+01 1.39637577e+01 29 1.68890444e+01 -1.38427371e+00 3.04113634e+01 30 4.41846338e+01 3.83896416e+01 1.14552246e+01 31 4.11966261e+01 -5.46329657e+00 3.66755715e+01 32 1.08064149e+01 3.15006787e+01 3.65158446e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Si (Configuration in file "config-T-Si.xyz") ----------------------------------------------------------------------------------------------------- Energy = 465.8530424436218 Forces: 1 -1.84435595e+01 -1.50689631e+01 -1.75317946e+01 2 -4.82189312e+00 -5.68294864e-01 -4.39592457e+01 3 -8.91669295e+00 -4.53240299e+01 -7.72808933e+00 4 -4.31021285e+01 -5.64520254e+00 -4.78995917e+00 5 1.01771453e+01 -2.81530203e+01 -2.26089049e+01 6 2.21638069e+01 -7.29153790e+00 -2.88122224e+01 7 2.62448918e+01 -3.70318452e+01 -1.61981649e+01 8 1.86876798e+00 -2.50721902e+01 -6.20516130e+00 9 -2.72370682e+01 -2.60166928e+00 -3.96592276e+01 10 -2.87921778e+01 4.14353119e+01 -4.82195563e+01 11 -3.12366857e+01 -8.08658370e+00 -8.60461988e+00 12 -3.66556891e+01 2.95660263e+01 -4.17185825e+00 13 2.04027184e+01 -2.03826764e+01 -9.77628218e+01 14 3.35891355e+01 2.09911315e+01 -2.21404736e+01 15 7.41216367e+01 1.02971780e+00 -8.45329902e+00 16 3.85341840e+00 8.83276963e+01 2.91093613e+01 17 -3.11138550e+01 -2.47462976e+01 1.81419708e+00 18 -1.67317727e+00 -1.15120441e+01 4.85157138e+00 19 2.45125798e+00 -2.83742916e+01 3.00969818e+01 20 -2.93380677e+01 4.46334424e-01 2.60667167e+01 21 7.07998554e+00 -3.80101160e+01 1.95094044e+01 22 4.38240401e+01 -7.33028815e+00 1.87924508e+01 23 8.29756513e+00 -4.78280389e+00 1.61311236e+01 24 7.51565633e+00 -1.19325176e+01 3.83914021e+01 25 -4.85273194e+01 8.29335717e+00 8.42526864e+00 26 -1.86050977e+01 5.47892811e+01 7.71253586e+00 27 -9.73803870e+00 -1.13578713e+01 4.69226232e+01 28 -3.64652948e+01 2.53506373e+01 1.39637577e+01 29 1.68890444e+01 -1.38427371e+00 3.04113634e+01 30 4.41846338e+01 3.83896416e+01 1.14552246e+01 31 4.11966261e+01 -5.46329657e+00 3.66755715e+01 32 1.08064149e+01 3.15006787e+01 3.65158446e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==1189538== Memcheck, a memory error detector ==1189538== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==1189538== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==1189538== Command: python runner2.py SW_LeeHwang_2012LDA_Si__MO_517338295712_001 ==1189538== ==1190004== Warning: invalid file descriptor 1024 in syscall close() ==1190004== Warning: invalid file descriptor 1025 in syscall close() ==1190004== Warning: invalid file descriptor 1026 in syscall close() ==1190004== Warning: invalid file descriptor 1027 in syscall close() ==1190004== Use --log-fd= to select an alternative log fd. ==1190004== Warning: invalid file descriptor 1028 in syscall close() ==1190004== Warning: invalid file descriptor 1029 in syscall close() ==1189538== ==1189538== HEAP SUMMARY: ==1189538== in use at exit: 2,257,559 bytes in 1,700 blocks ==1189538== total heap usage: 46,089 allocs, 44,389 frees, 58,229,639 bytes allocated ==1189538== ==1189538== LEAK SUMMARY: ==1189538== definitely lost: 0 bytes in 0 blocks ==1189538== indirectly lost: 0 bytes in 0 blocks ==1189538== possibly lost: 180,827 bytes in 103 blocks ==1189538== still reachable: 2,076,700 bytes in 1,596 blocks ==1189538== of which reachable via heuristic: ==1189538== stdstring : 38 bytes in 1 blocks ==1189538== suppressed: 32 bytes in 1 blocks ==1189538== Rerun with --leak-check=full to see details of leaked memory ==1189538== ==1189538== For lists of detected and suppressed errors, rerun with: -s ==1189538== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 7819 from 559) ================================================================================ 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 (2022-11-30 10:17:09) ===