!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : Three_Body_Stillinger_Weber_Hauch_Brittle_Si__MO_119167353542_002 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 = 1330.31135336 Forces: 1 -6.96423526e+01 -5.04291449e+01 -7.33538347e+01 2 -4.37633562e+01 -1.67016774e+00 -1.22671508e+02 3 -2.10251355e+01 -1.30135738e+02 -2.06936078e+01 4 -1.09676705e+02 7.09439534e+00 2.02809955e+00 5 5.23375371e+01 -1.12757259e+02 -8.89116811e+01 6 7.57524454e+01 -1.28287343e+01 -8.42516522e+01 7 6.26208718e+01 -9.81203467e+01 -1.11735823e+01 8 2.07656929e+01 -6.39450220e+01 -1.40768917e+01 9 -7.18862629e+01 6.08753676e+00 -9.27870285e+01 10 -2.56596320e+00 7.65123797e+01 -1.00906970e+02 11 -7.81744869e+01 4.88254412e+00 -4.77309479e+01 12 -9.40622401e+01 6.95408497e+01 -3.61221054e+00 13 3.61820523e+01 3.34435119e+01 -1.50914648e+02 14 3.84804289e+01 2.83668689e+01 -4.26585323e+01 15 1.50932652e+02 4.85803783e+01 -3.01032840e+01 16 3.79363803e+01 1.57459734e+02 -3.81371856e+01 17 -7.99675388e+01 -5.06909143e+01 1.39881162e+01 18 -1.70110936e+01 -2.56339117e+01 2.70173136e+01 19 1.95568776e+01 -8.55702307e+01 7.19264633e+01 20 -8.02513922e+01 1.10677988e+01 5.95109481e+01 21 3.19131990e+01 -9.08869503e+01 3.34438137e+01 22 1.02178019e+02 -3.21983153e+01 3.69958672e+01 23 2.15950920e+01 -2.12302256e+01 3.30390006e+01 24 2.60959075e+01 -2.43573835e+01 1.09363674e+02 25 -1.74879174e+02 -2.19073669e+01 3.38101161e+01 26 5.22671101e+00 1.47068312e+02 3.86493107e+01 27 -3.80568383e+01 -2.93037190e+00 1.05615743e+02 28 -6.85263612e+01 4.55443425e+01 4.84135349e+01 29 4.50753527e+01 2.85241197e+01 8.06450922e+01 30 9.14610119e+01 8.07947686e+01 3.12755088e+01 31 7.98111021e+01 9.77554591e+00 9.47132477e+01 32 5.15675666e+01 7.05489967e+01 1.01547715e+02 MONOATOMIC STRUCTURE (pbc=True)-- Species = Si (Configuration in file "config-T-Si.xyz") ----------------------------------------------------------------------------------------------------- Energy = 3420.27895245 Forces: 1 -2.13176872e+01 2.06559803e+01 -2.60005734e+01 2 2.36900636e+00 2.44432924e+01 -3.65406656e+00 3 1.01898348e+02 2.46032298e+01 1.50494008e+01 4 1.89752703e+01 8.45791193e+01 5.74210063e+01 5 3.39666862e+01 -4.34583604e+01 -6.42550931e+00 6 -3.27663586e+01 6.20740364e+01 -6.82446994e+01 7 -7.30130893e+01 -4.44208511e+00 2.87889488e+01 8 -1.41140953e+01 -4.86603762e+01 1.65128005e+01 9 -2.95580831e+01 -4.17949107e+01 -4.15061390e+01 10 7.21386156e+01 -3.23665930e+01 -9.60556800e+00 11 -5.87549706e+01 -2.37923341e+01 2.08165278e+01 12 -2.27779154e+01 -6.76661541e+01 2.45917318e+01 13 1.85076781e+01 2.51967986e+01 -6.11366644e+01 14 -5.28042182e+01 -7.56421523e+01 -5.41936271e+01 15 3.67329954e+01 1.22709193e+01 1.34597602e+00 16 1.16997910e+01 6.17269980e+01 -5.68142932e+00 17 1.88642981e+01 4.04497957e+01 1.59802941e+01 18 3.51102164e+01 3.08112517e+01 -1.62866265e+00 19 9.68714699e+01 3.84525876e+01 -2.03085923e+01 20 -5.48607412e+01 9.79957486e+01 -6.33334345e+01 21 1.17127798e+01 3.04676685e+01 2.89473935e+01 22 -7.65648600e+01 6.19878516e+01 6.03884650e+01 23 -7.51187073e+01 7.29010866e+00 -4.41860940e+01 24 2.02537561e+01 -1.09317968e+01 -1.50595119e+01 25 -1.02075494e+02 -1.08499618e+02 3.37165600e+01 26 6.40175334e+01 3.74889531e+00 2.86992005e+01 27 -2.42010895e+01 -2.92903552e+01 -2.56890903e+01 28 -2.64161761e+01 -7.86376423e+01 -4.15972198e+01 29 4.40384331e+01 -7.91838232e+00 6.84999433e+01 30 -3.46055741e+00 -3.55815677e+01 3.00577384e+01 31 5.48806410e+00 -1.87978009e+01 2.85409733e+01 32 7.51591005e+01 7.25847014e-01 2.88939219e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==25973== Memcheck, a memory error detector ==25973== Copyright (C) 2002-2015, and GNU GPL'd, by Julian Seward et al. ==25973== Using Valgrind-3.11.0 and LibVEX; rerun with -h for copyright info ==25973== Command: python runner2.py Three_Body_Stillinger_Weber_Hauch_Brittle_Si__MO_119167353542_002 ==25973== ==25973== Warning: set address range perms: large range [0x20fe9000, 0x314e9000) (defined) ==25973== Warning: set address range perms: large range [0x2122d000, 0x314e9000) (defined) ==25973== Warning: set address range perms: large range [0x20fe9000, 0x314e9000) (noaccess) ==25973== Warning: set address range perms: large range [0x23029000, 0x33529000) (defined) ==25973== Warning: set address range perms: large range [0x2326d000, 0x33529000) (defined) ==25973== Warning: set address range perms: large range [0x23029000, 0x33529000) (noaccess) ==25973== Warning: set address range perms: large range [0x23029000, 0x33529000) (defined) ==25973== Warning: set address range perms: large range [0x2326d000, 0x33529000) (defined) ==25973== Warning: set address range perms: large range [0x23029000, 0x33529000) (noaccess) ==25973== ==25973== HEAP SUMMARY: ==25973== in use at exit: 4,038,915 bytes in 5,780 blocks ==25973== total heap usage: 84,716 allocs, 78,936 frees, 46,063,418 bytes allocated ==25973== ==25973== LEAK SUMMARY: ==25973== definitely lost: 0 bytes in 0 blocks ==25973== indirectly lost: 0 bytes in 0 blocks ==25973== possibly lost: 162,278 bytes in 95 blocks ==25973== still reachable: 3,876,637 bytes in 5,685 blocks ==25973== suppressed: 0 bytes in 0 blocks ==25973== Rerun with --leak-check=full to see details of leaked memory ==25973== ==25973== For counts of detected and suppressed errors, rerun with: -v ==25973== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 2381 from 154) ================================================================================ 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.