!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : Sim_LAMMPS_ADP_StarikovGordeevLysogorskiy_2020_SiAuAl__SM_113843830602_000 Supported species : Al Au Si 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 = 95.74995306847292 Forces: 1 -6.52171378e+00 -9.34183230e+00 -1.05679044e+01 2 -4.58290838e+00 3.40469335e+00 -1.10991505e+01 3 2.22299723e+00 -1.50863166e+01 -4.60223434e+00 4 -9.56014503e+00 5.22585219e+00 4.28211538e+00 5 1.14400059e+00 -1.50033830e+01 -7.94693177e+00 6 8.16049375e+00 2.27732775e+00 -1.01974379e+01 7 1.22185358e+01 -2.44364262e+01 -1.41899834e+01 8 -1.41143545e+00 -1.12106173e+01 -9.49197774e+00 9 -1.30508343e+01 -1.02435468e+01 -1.90311116e+01 10 3.14016694e+00 2.33941702e+01 -1.86852836e+01 11 -1.07516978e+01 -1.09653664e+01 3.61978328e+00 12 -1.71123374e+01 1.35901214e+01 8.45708456e+00 13 -3.00443283e+00 -6.58647095e+00 -3.55635522e+01 14 8.67864593e+00 1.29270611e+01 -1.02164035e+01 15 3.10211029e+01 -8.51824761e+00 2.18265404e+00 16 3.72529023e+00 3.26751396e+01 3.47794715e+00 17 -1.49656324e+01 -7.62215120e+00 -4.53992038e+00 18 -1.15188496e+01 3.73657356e+00 8.65676751e+00 19 3.43008137e+00 -1.54769889e+01 9.39338018e+00 20 -7.37121028e+00 8.74455087e+00 9.05805945e+00 21 -7.12707207e+00 -1.80702884e+01 5.24263369e+00 22 2.28600157e+01 1.63400052e+01 1.32183500e+01 23 7.40039158e+00 -4.06401212e+00 1.10333999e+01 24 3.78234620e+00 5.51605163e+00 1.17787662e+01 25 -1.83696857e+01 -8.08631872e+00 -1.24150787e+00 26 -5.74484776e+00 2.42155611e+01 -5.80364404e+00 27 6.89832165e+00 -2.18826197e+01 1.74584574e+01 28 -2.06401582e+01 1.84396457e+01 9.75375897e+00 29 1.43231201e+00 -6.93541899e+00 1.05761976e+01 30 1.22573736e+01 1.36244589e+01 5.02414877e+00 31 1.63846152e+01 -6.07184000e+00 1.28102406e+01 32 6.97627017e+00 1.54906326e+01 1.71532984e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Al (Configuration in file "config-T-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 95.74995306847292 Forces: 1 -6.52171378e+00 -9.34183230e+00 -1.05679044e+01 2 -4.58290838e+00 3.40469335e+00 -1.10991505e+01 3 2.22299723e+00 -1.50863166e+01 -4.60223434e+00 4 -9.56014503e+00 5.22585219e+00 4.28211538e+00 5 1.14400059e+00 -1.50033830e+01 -7.94693177e+00 6 8.16049375e+00 2.27732775e+00 -1.01974379e+01 7 1.22185358e+01 -2.44364262e+01 -1.41899834e+01 8 -1.41143545e+00 -1.12106173e+01 -9.49197774e+00 9 -1.30508343e+01 -1.02435468e+01 -1.90311116e+01 10 3.14016694e+00 2.33941702e+01 -1.86852836e+01 11 -1.07516978e+01 -1.09653664e+01 3.61978328e+00 12 -1.71123374e+01 1.35901214e+01 8.45708456e+00 13 -3.00443283e+00 -6.58647095e+00 -3.55635522e+01 14 8.67864593e+00 1.29270611e+01 -1.02164035e+01 15 3.10211029e+01 -8.51824761e+00 2.18265404e+00 16 3.72529023e+00 3.26751396e+01 3.47794715e+00 17 -1.49656324e+01 -7.62215120e+00 -4.53992038e+00 18 -1.15188496e+01 3.73657356e+00 8.65676751e+00 19 3.43008137e+00 -1.54769889e+01 9.39338018e+00 20 -7.37121028e+00 8.74455087e+00 9.05805945e+00 21 -7.12707207e+00 -1.80702884e+01 5.24263369e+00 22 2.28600157e+01 1.63400052e+01 1.32183500e+01 23 7.40039158e+00 -4.06401212e+00 1.10333999e+01 24 3.78234620e+00 5.51605163e+00 1.17787662e+01 25 -1.83696857e+01 -8.08631872e+00 -1.24150787e+00 26 -5.74484776e+00 2.42155611e+01 -5.80364404e+00 27 6.89832165e+00 -2.18826197e+01 1.74584574e+01 28 -2.06401582e+01 1.84396457e+01 9.75375897e+00 29 1.43231201e+00 -6.93541899e+00 1.05761976e+01 30 1.22573736e+01 1.36244589e+01 5.02414877e+00 31 1.63846152e+01 -6.07184000e+00 1.28102406e+01 32 6.97627017e+00 1.54906326e+01 1.71532984e+01 MONOATOMIC STRUCTURE (pbc=False)-- Species = Au (Configuration in file "config-F-Au.xyz") ----------------------------------------------------------------------------------------------------- Energy = 1018.6229254939628 Forces: 1 -5.92928522e+01 -1.03476978e+02 -6.13927629e+01 2 -3.92808828e+01 -6.18385772e+01 -2.96741567e+02 3 -1.39299358e+02 -3.32541162e+02 -3.20524036e+01 4 -2.48863617e+02 -4.98405150e+01 6.61590625e+00 5 3.48738292e+01 -1.88971079e+02 -2.47911294e+02 6 1.97481973e+02 -6.99359810e+00 -1.77037671e+02 7 1.64767933e+02 -1.42538628e+02 9.41789272e+00 8 6.17211791e+01 1.08637850e+02 -4.37733375e+00 9 -1.50080741e+02 7.76460723e+01 -1.30420332e+02 10 -4.60003079e+01 1.23200176e+02 -1.15478459e+02 11 -4.99550564e+01 9.55632546e+01 4.41193862e+01 12 -7.97271734e+01 9.12698660e+01 1.14264089e+01 13 3.29091839e+01 5.87731685e+01 -1.98184099e+02 14 5.05601776e+01 6.18679499e+01 -5.41544647e+01 15 2.08366040e+02 7.02295170e+01 -3.36165295e+01 16 7.44223042e+01 1.79421857e+02 3.01958042e+01 17 -1.25543750e+02 -1.67181026e+02 -1.12434462e+01 18 2.06933480e+00 2.95738592e+01 1.22726065e+02 19 -6.04146968e+00 -4.50929965e+01 5.24794281e+01 20 -9.14153007e+01 -1.56246638e-01 1.68730067e+02 21 9.12499464e+01 -2.02502413e+02 2.08944744e+02 22 1.73383128e+02 -5.85878647e+01 7.53829907e+01 23 1.95045169e+01 -2.42522862e+01 2.74787614e+01 24 1.05554298e+01 -4.52905852e+01 1.10957807e+02 25 -1.45165309e+02 9.20447870e+01 3.61076392e+01 26 -1.92398543e+01 7.42662829e+01 -6.16362616e+00 27 5.75143982e+00 3.55694854e+01 1.22124445e+02 28 -4.48850939e+01 4.99043966e+01 4.21356408e+01 29 -6.38262257e+01 7.41673657e+01 1.23358367e+02 30 1.07558703e+02 1.35485517e+02 1.26996311e+01 31 7.75341665e+01 -6.62760339e-01 8.32132055e+01 32 -4.09229336e+00 7.23053111e+01 8.06597991e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Au (Configuration in file "config-T-Au.xyz") ----------------------------------------------------------------------------------------------------- Energy = 1018.6229254939628 Forces: 1 -5.92928522e+01 -1.03476978e+02 -6.13927629e+01 2 -3.92808828e+01 -6.18385772e+01 -2.96741567e+02 3 -1.39299358e+02 -3.32541162e+02 -3.20524036e+01 4 -2.48863617e+02 -4.98405150e+01 6.61590625e+00 5 3.48738292e+01 -1.88971079e+02 -2.47911294e+02 6 1.97481973e+02 -6.99359810e+00 -1.77037671e+02 7 1.64767933e+02 -1.42538628e+02 9.41789272e+00 8 6.17211791e+01 1.08637850e+02 -4.37733375e+00 9 -1.50080741e+02 7.76460723e+01 -1.30420332e+02 10 -4.60003079e+01 1.23200176e+02 -1.15478459e+02 11 -4.99550564e+01 9.55632546e+01 4.41193862e+01 12 -7.97271734e+01 9.12698660e+01 1.14264089e+01 13 3.29091839e+01 5.87731685e+01 -1.98184099e+02 14 5.05601776e+01 6.18679499e+01 -5.41544647e+01 15 2.08366040e+02 7.02295170e+01 -3.36165295e+01 16 7.44223042e+01 1.79421857e+02 3.01958042e+01 17 -1.25543750e+02 -1.67181026e+02 -1.12434462e+01 18 2.06933480e+00 2.95738592e+01 1.22726065e+02 19 -6.04146968e+00 -4.50929965e+01 5.24794281e+01 20 -9.14153007e+01 -1.56246638e-01 1.68730067e+02 21 9.12499464e+01 -2.02502413e+02 2.08944744e+02 22 1.73383128e+02 -5.85878647e+01 7.53829907e+01 23 1.95045169e+01 -2.42522862e+01 2.74787614e+01 24 1.05554298e+01 -4.52905852e+01 1.10957807e+02 25 -1.45165309e+02 9.20447870e+01 3.61076392e+01 26 -1.92398543e+01 7.42662829e+01 -6.16362616e+00 27 5.75143982e+00 3.55694854e+01 1.22124445e+02 28 -4.48850939e+01 4.99043966e+01 4.21356408e+01 29 -6.38262257e+01 7.41673657e+01 1.23358367e+02 30 1.07558703e+02 1.35485517e+02 1.26996311e+01 31 7.75341665e+01 -6.62760339e-01 8.32132055e+01 32 -4.09229336e+00 7.23053111e+01 8.06597991e+01 MONOATOMIC STRUCTURE (pbc=False)-- Species = Si (Configuration in file "config-F-Si.xyz") ----------------------------------------------------------------------------------------------------- Energy = 124.51204800228263 Forces: 1 -1.65885058e+00 -1.31762673e+00 -2.29013078e+00 2 -1.11796449e+01 -5.68330901e+00 -3.62781765e+01 3 -9.75997678e+00 -4.51348845e+01 -1.34936982e+01 4 -4.73421180e+01 -2.99892479e+01 -2.06824104e+01 5 1.06950737e+01 -2.18642987e+01 -2.07524570e+01 6 1.57297026e+01 -8.56828286e+00 -1.45301196e+01 7 1.48066320e+01 -9.22537977e+00 -8.48341057e+00 8 3.79312060e+01 -2.31901742e+01 -3.12277022e+01 9 -2.66303096e+01 -5.26884675e+00 -4.14457603e+01 10 1.07250533e+01 2.00129414e+01 -1.53159796e+01 11 1.11157628e+01 3.37998846e+01 -2.63686194e+01 12 -2.42925498e+01 3.04831076e+01 -2.17812336e-01 13 1.56446852e+00 1.74267448e+01 -2.97145558e+01 14 1.56496239e+01 1.18415802e+01 -1.71587671e+01 15 1.95948790e+01 4.63751538e+00 -9.23844297e+00 16 -2.47129000e+00 2.77801735e+01 1.18974075e+00 17 -1.79051582e+01 -1.95056651e+01 1.08754359e+01 18 -2.63061716e+01 -4.54517655e+01 6.33599656e+01 19 -4.97876295e+00 -8.64125591e+00 1.32690462e+01 20 -1.86647650e+01 -1.83108847e+01 2.20322901e+01 21 5.94680385e+00 -2.25796871e+01 9.84571937e+00 22 3.28724438e+01 -1.68096758e+01 3.60724527e+00 23 6.11494541e+00 -6.63072650e+00 5.24461742e+00 24 -1.52036150e+01 -2.35171651e+01 3.11304666e+01 25 -4.54611512e+01 7.74262857e+00 1.86814914e+01 26 -1.34220094e+01 3.66505757e+01 -2.12122249e+01 27 6.19762341e+00 -6.25085172e+00 2.89074303e+01 28 -2.38681822e+01 2.39086939e+01 1.97048949e+01 29 3.55054794e+01 5.18946883e+01 1.73593326e+01 30 1.04441367e+01 1.25303735e+01 4.73724982e+00 31 2.34719086e+01 2.10609598e+01 1.98094511e+01 32 3.07788124e+01 1.81698605e+01 3.86558905e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Si (Configuration in file "config-T-Si.xyz") ----------------------------------------------------------------------------------------------------- Energy = 124.51204800228263 Forces: 1 -1.65885058e+00 -1.31762673e+00 -2.29013078e+00 2 -1.11796449e+01 -5.68330901e+00 -3.62781765e+01 3 -9.75997678e+00 -4.51348845e+01 -1.34936982e+01 4 -4.73421180e+01 -2.99892479e+01 -2.06824104e+01 5 1.06950737e+01 -2.18642987e+01 -2.07524570e+01 6 1.57297026e+01 -8.56828286e+00 -1.45301196e+01 7 1.48066320e+01 -9.22537977e+00 -8.48341057e+00 8 3.79312060e+01 -2.31901742e+01 -3.12277022e+01 9 -2.66303096e+01 -5.26884675e+00 -4.14457603e+01 10 1.07250533e+01 2.00129414e+01 -1.53159796e+01 11 1.11157628e+01 3.37998846e+01 -2.63686194e+01 12 -2.42925498e+01 3.04831076e+01 -2.17812336e-01 13 1.56446852e+00 1.74267448e+01 -2.97145558e+01 14 1.56496239e+01 1.18415802e+01 -1.71587671e+01 15 1.95948790e+01 4.63751538e+00 -9.23844297e+00 16 -2.47129000e+00 2.77801735e+01 1.18974075e+00 17 -1.79051582e+01 -1.95056651e+01 1.08754359e+01 18 -2.63061716e+01 -4.54517655e+01 6.33599656e+01 19 -4.97876295e+00 -8.64125591e+00 1.32690462e+01 20 -1.86647650e+01 -1.83108847e+01 2.20322901e+01 21 5.94680385e+00 -2.25796871e+01 9.84571937e+00 22 3.28724438e+01 -1.68096758e+01 3.60724527e+00 23 6.11494541e+00 -6.63072650e+00 5.24461742e+00 24 -1.52036150e+01 -2.35171651e+01 3.11304666e+01 25 -4.54611512e+01 7.74262857e+00 1.86814914e+01 26 -1.34220094e+01 3.66505757e+01 -2.12122249e+01 27 6.19762341e+00 -6.25085172e+00 2.89074303e+01 28 -2.38681822e+01 2.39086939e+01 1.97048949e+01 29 3.55054794e+01 5.18946883e+01 1.73593326e+01 30 1.04441367e+01 1.25303735e+01 4.73724982e+00 31 2.34719086e+01 2.10609598e+01 1.98094511e+01 32 3.07788124e+01 1.81698605e+01 3.86558905e+01 MIXED STRUCTURE (pbc=False)-- Species = Al Au Si (Configuration in file "config-F-AlAuSi.xyz") ----------------------------------------------------------------------------------------------------- Energy = 393.4084758581704 Forces: 1 -2.38650789e+01 -1.98163808e+01 -1.04410385e+01 2 -4.41086296e+01 -5.40731234e+01 -8.38255279e+01 3 -1.70688557e+01 -5.29093714e+01 -2.55002866e+01 4 -6.76429160e+01 -1.88507600e+01 -3.00541341e+01 5 5.25525279e+00 -2.91202246e+01 -2.80269232e+01 6 6.59376163e+01 -4.04988614e+01 -5.15081951e+01 7 3.02468470e+01 -4.37120094e+01 -1.12877388e+01 8 2.10979139e+01 -1.38996496e+02 -5.79538205e+01 9 -2.43894620e+01 1.00143523e+01 -3.13326585e+01 10 -8.00556022e+00 3.18123452e+01 -3.64550493e+01 11 -6.53854057e+01 4.11201128e+01 -6.63203184e+01 12 -6.35135531e+01 4.48995895e+01 -1.16848624e+01 13 5.59008211e+00 5.52244635e+01 -1.43709739e+02 14 3.54033048e+01 4.87441386e+01 -2.76976907e+01 15 1.96297157e+02 1.91376474e+01 -7.80612079e+01 16 1.72239834e+00 7.84456029e+01 -3.14301496e+01 17 -2.90065099e+01 -2.42965406e+01 8.02098208e+00 18 -1.76715223e+02 -1.23933317e+02 -4.18810570e+01 19 -2.15609387e+01 -1.09076543e+02 6.83365215e+01 20 -8.81242433e+01 -2.45204541e+00 6.57665962e+01 21 3.50531616e+01 -1.06229299e+02 4.28196443e+00 22 4.85560714e+01 -1.43913190e+01 1.64207749e+01 23 1.59093798e+01 -2.09011672e+01 2.01427754e+01 24 7.77003209e+01 -5.77919195e+01 2.27525410e+02 25 -7.95990681e+01 2.17103167e+01 6.57290352e+00 26 -2.27866027e+01 6.44578473e+01 -1.33990128e+01 27 -1.59849443e+01 3.03895733e+01 6.03236249e+01 28 -3.02912717e+01 1.73435502e+01 3.45995073e+01 29 5.11431065e+01 1.90897616e+02 4.68712974e+01 30 1.05832054e+02 9.68548689e+01 1.76285287e+01 31 9.12614216e+01 -7.67140979e+00 9.52210015e+01 32 -8.95782461e+00 1.13668762e+02 1.08857523e+02 MIXED STRUCTURE (pbc=True)-- Species = Al Au Si (Configuration in file "config-T-AlAuSi.xyz") ----------------------------------------------------------------------------------------------------- Energy = 1440.9341696572935 Forces: 1 -2.61299291e+01 -1.41266083e+02 8.43591348e+01 2 -1.70986672e+02 -4.48243664e+01 2.02359213e+02 3 -2.80193050e+01 -8.03964938e+01 -5.04486139e+01 4 -9.75138580e+01 -2.40388155e+01 -3.91015923e+01 5 6.57008834e+01 -7.20852143e+01 1.79579901e+01 6 4.51389641e+01 -5.59862527e+01 -3.44165923e+01 7 4.55511294e+01 -3.44086405e+01 2.53520793e+01 8 2.89603863e+00 -1.57599354e+02 4.77490834e+01 9 -7.10588215e+01 1.26929396e+02 4.51393862e+00 10 -4.08050356e+00 6.64730484e-01 -1.59351015e+01 11 -7.95553319e+01 8.48400144e+01 -4.01130893e+01 12 -7.62015482e+01 9.65039531e+01 2.03890732e+01 13 9.02217801e+00 2.07655447e+02 -1.16231667e+02 14 6.53514168e+01 9.16510527e+01 -4.01208707e+01 15 2.75705957e+02 5.16310636e+01 -1.65517213e+01 16 -1.76180012e+01 7.61441370e+01 6.87621875e+00 17 -6.71783332e+01 -2.77833002e+01 -7.06752180e+00 18 -2.68449400e+02 -8.81872438e+01 -1.75789185e+02 19 3.14153312e+01 -4.47507384e+02 -3.21246429e-01 20 -2.97031174e+02 6.29008478e+01 -1.45657349e+00 21 1.67063971e+02 -1.62625543e+02 -8.84032698e+01 22 7.04217189e+01 -4.04443430e+00 1.58124616e+01 23 1.51074467e+01 -4.43844691e+01 4.23988191e+00 24 3.47165087e+02 -2.19596198e+01 1.22227501e+02 25 -9.91908944e+01 9.27611466e+01 -2.33336944e+01 26 1.06932565e+01 -1.11587083e+01 -7.92854648e+01 27 -3.95590350e+01 1.16468103e+02 3.07331843e+01 28 -1.11914514e+02 -6.88651119e+01 2.91935439e+01 29 6.60035377e+01 1.86235014e+02 -1.84126462e+01 30 1.26144904e+02 1.59550104e+02 -8.15930474e+00 31 1.28779996e+02 5.03866527e-01 5.43585096e+01 32 -1.76744953e+01 1.32682157e+02 8.90263417e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==8611== Memcheck, a memory error detector ==8611== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==8611== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==8611== Command: python runner2.py Sim_LAMMPS_ADP_StarikovGordeevLysogorskiy_2020_SiAuAl__SM_113843830602_000 ==8611== ==8611== Conditional jump or move depends on uninitialised value(s) ==8611== at 0x4FCDC2C: __wcsnlen_avx2 (strlen-avx2.S:106) ==8611== by 0x4EFBCA1: wcsrtombs (wcsrtombs.c:104) ==8611== by 0x4E81C40: wcstombs (wcstombs.c:34) ==8611== by 0x5471CF: ??? (in /usr/bin/python3.6) ==8611== by 0x6330AD: _Py_stat (in /usr/bin/python3.6) ==8611== by 0x5B9C10: ??? (in /usr/bin/python3.6) ==8611== by 0x5515C0: ??? (in /usr/bin/python3.6) ==8611== by 0x5A9DAB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==8611== by 0x50A432: ??? (in /usr/bin/python3.6) ==8611== by 0x50BEB3: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==8611== by 0x5095C7: ??? (in /usr/bin/python3.6) ==8611== by 0x50A2FC: ??? (in /usr/bin/python3.6) ==8611== ==8611== Conditional jump or move depends on uninitialised value(s) ==8611== at 0x4E654E8: internal_utf8_loop (loop.c:298) ==8611== by 0x4E654E8: __gconv_transform_internal_utf8 (skeleton.c:609) ==8611== by 0x4EFBCD4: wcsrtombs (wcsrtombs.c:110) ==8611== by 0x4E81C40: wcstombs (wcstombs.c:34) ==8611== by 0x5471CF: ??? (in /usr/bin/python3.6) ==8611== by 0x6330AD: _Py_stat (in /usr/bin/python3.6) ==8611== by 0x5B9C10: ??? (in /usr/bin/python3.6) ==8611== by 0x5515C0: ??? (in /usr/bin/python3.6) ==8611== by 0x5A9DAB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==8611== by 0x50A432: ??? (in /usr/bin/python3.6) ==8611== by 0x50BEB3: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==8611== by 0x5095C7: ??? (in /usr/bin/python3.6) ==8611== by 0x50A2FC: ??? (in /usr/bin/python3.6) ==8611== ==8611== Conditional jump or move depends on uninitialised value(s) ==8611== at 0x4E654F1: internal_utf8_loop (loop.c:303) ==8611== by 0x4E654F1: __gconv_transform_internal_utf8 (skeleton.c:609) ==8611== by 0x4EFBCD4: wcsrtombs (wcsrtombs.c:110) ==8611== by 0x4E81C40: wcstombs (wcstombs.c:34) ==8611== by 0x5471CF: ??? (in /usr/bin/python3.6) ==8611== by 0x6330AD: _Py_stat (in /usr/bin/python3.6) ==8611== by 0x5B9C10: ??? (in /usr/bin/python3.6) ==8611== by 0x5515C0: ??? (in /usr/bin/python3.6) ==8611== by 0x5A9DAB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==8611== by 0x50A432: ??? (in /usr/bin/python3.6) ==8611== by 0x50BEB3: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==8611== by 0x5095C7: ??? (in /usr/bin/python3.6) ==8611== by 0x50A2FC: ??? (in /usr/bin/python3.6) ==8611== ==8611== Conditional jump or move depends on uninitialised value(s) ==8611== at 0x4E65538: internal_utf8_loop (loop.c:298) ==8611== by 0x4E65538: __gconv_transform_internal_utf8 (skeleton.c:609) ==8611== by 0x4EFBCD4: wcsrtombs (wcsrtombs.c:110) ==8611== by 0x4E81C40: wcstombs (wcstombs.c:34) ==8611== by 0x5471CF: ??? (in /usr/bin/python3.6) ==8611== by 0x6330AD: _Py_stat (in /usr/bin/python3.6) ==8611== by 0x5B9C10: ??? (in /usr/bin/python3.6) ==8611== by 0x5515C0: ??? (in /usr/bin/python3.6) ==8611== by 0x5A9DAB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==8611== by 0x50A432: ??? (in /usr/bin/python3.6) ==8611== by 0x50BEB3: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==8611== by 0x5095C7: ??? (in /usr/bin/python3.6) ==8611== by 0x50A2FC: ??? (in /usr/bin/python3.6) ==8611== ==8611== Conditional jump or move depends on uninitialised value(s) ==8611== at 0x4FCDDB7: __wcsnlen_avx2 (strlen-avx2.S:264) ==8611== by 0x4EFBCA1: wcsrtombs (wcsrtombs.c:104) ==8611== by 0x4E81C40: wcstombs (wcstombs.c:34) ==8611== by 0x5471CF: ??? (in /usr/bin/python3.6) ==8611== by 0x5474B0: PyUnicode_FSConverter (in /usr/bin/python3.6) ==8611== by 0x4C4D46: ??? (in /usr/bin/python3.6) ==8611== by 0x4F7E48: ??? (in /usr/bin/python3.6) ==8611== by 0x4FB843: ??? (in /usr/bin/python3.6) ==8611== by 0x4FC3D4: _PyArg_ParseStack_SizeT (in /usr/bin/python3.6) ==8611== by 0x4C6448: ??? (in /usr/bin/python3.6) ==8611== by 0x50A259: ??? (in /usr/bin/python3.6) ==8611== by 0x50BEB3: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==8611== ==8611== Conditional jump or move depends on uninitialised value(s) ==8611== at 0x8965D375: opal_value_unload (in /usr/lib/x86_64-linux-gnu/openmpi/lib/libopen-pal.so.20.10.1) ==8611== by 0x87D2697A: ompi_proc_complete_init (in /usr/lib/x86_64-linux-gnu/openmpi/lib/libmpi.so.20.10.1) ==8611== by 0x87D2A8A4: ompi_mpi_init (in /usr/lib/x86_64-linux-gnu/openmpi/lib/libmpi.so.20.10.1) ==8611== by 0x87D4B2AA: PMPI_Init (in /usr/lib/x86_64-linux-gnu/openmpi/lib/libmpi.so.20.10.1) ==8611== by 0x8667ADB8: lammps_mpi_init (in /usr/local/lib/liblammps.so.0) ==8611== by 0x8667AE0C: lammps_open (in /usr/local/lib/liblammps.so.0) ==8611== by 0x56B7CDAD: ffi_call_unix64 (in /usr/lib/x86_64-linux-gnu/libffi.so.6.0.4) ==8611== by 0x56B7C71E: ffi_call (in /usr/lib/x86_64-linux-gnu/libffi.so.6.0.4) ==8611== by 0x569635C3: _ctypes_callproc (in /usr/lib/python3.6/lib-dynload/_ctypes.cpython-36m-x86_64-linux-gnu.so) ==8611== by 0x56963D53: ??? (in /usr/lib/python3.6/lib-dynload/_ctypes.cpython-36m-x86_64-linux-gnu.so) ==8611== by 0x5A9DAB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==8611== by 0x50A432: ??? (in /usr/bin/python3.6) ==8611== ==8611== ==8611== HEAP SUMMARY: ==8611== in use at exit: 5,860,121 bytes in 11,592 blocks ==8611== total heap usage: 870,392 allocs, 858,800 frees, 219,429,973 bytes allocated ==8611== ==8611== LEAK SUMMARY: ==8611== definitely lost: 15,857 bytes in 30 blocks ==8611== indirectly lost: 455 bytes in 14 blocks ==8611== possibly lost: 151,064 bytes in 95 blocks ==8611== still reachable: 5,692,745 bytes in 11,453 blocks ==8611== suppressed: 0 bytes in 0 blocks ==8611== Rerun with --leak-check=full to see details of leaked memory ==8611== ==8611== For counts of detected and suppressed errors, rerun with: -v ==8611== Use --track-origins=yes to see where uninitialised values come from ==8611== ERROR SUMMARY: 6673 errors from 6 contexts (suppressed: 12871 from 706) ================================================================================ 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" (Search for the word "lost" in the file to identify memory leaks.) Grade: F Comment: Memory leak detected.