Lammps hybrid/overlay-reax/lcbop problem

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1

Dear Dr. Axel Kohlmeyer

As trainee in EDF under the supervision of Dr Philippe BARANEK, I’m trying to simulate some graphite properties using lammps. I need to use hybrid/overlay option for it. Every time I use this option with Reax and lcbop potential, I get this error message :

lmp_bara:32385 terminated with signal 11 at PC=fb8442 SP=7fffc9fe1d60. Backtrace:
./lmp_bara(_Z17Estimate_StoragesP12_reax_systemP14control_paramsPP10_reax_listPiS6_S6_S6_P19ompi_communicator_t+\
0x1b2)[0xfb8442]
./lmp_bara(_Z10InitializeP12_reax_systemP14control_paramsP15simulation_dataP7storagePP10_reax_listP15output_cont\
rolsP13mpi_datatypesP19ompi_communicator_t+0x2a4)[0xfbb3c4]
./lmp_bara(_ZN9LAMMPS_NS9PairReaxC7computeEii+0x864)[0xe88674]
./lmp_bara(_ZN9LAMMPS_NS10PairHybrid7computeEii+0xd9)[0xb4f299]
./lmp_bara(_ZN9LAMMPS_NS6Verlet5setupEv+0x623)[0x1025bd3]
./lmp_bara(_ZN9LAMMPS_NS3Run7commandEiPPc+0xc92)[0xfeb422]
./lmp_bara(_ZN9LAMMPS_NS5Input15execute_commandEv+0x27de)[0x8945ee]
./lmp_bara(_ZN9LAMMPS_NS5Input4fileEv+0x1f9)[0x8902a9]
./lmp_bara(main+0x7d)[0x8ab20d]
/lib/libc.so.6(__libc_start_main+0xfd)[0x2b4bcd52ec4d]
./lmp_bara[0x508639]

lmp_bara:14562 terminated with signal 11 at PC=fb8442 SP=7fffa663a4e0. Backtrace:
./lmp_bara(_Z17Estimate_StoragesP12_reax_systemP14control_paramsPP10_reax_listPiS6_S6_S6_P19ompi_communicator_t+\
0x1b2)[0xfb8442]
./lmp_bara(_Z10InitializeP12_reax_systemP14control_paramsP15simulation_dataP7storagePP10_reax_listP15output_cont\
rolsP13mpi_datatypesP19ompi_communicator_t+0x2a4)[0xfbb3c4]
./lmp_bara(_ZN9LAMMPS_NS9PairReaxC7computeEii+0x864)[0xe88674]
./lmp_bara(_ZN9LAMMPS_NS10PairHybrid7computeEii+0xd9)[0xb4f299]
./lmp_bara(_ZN9LAMMPS_NS6Verlet5setupEv+0x623)[0x1025bd3]
./lmp_bara(_ZN9LAMMPS_NS3Run7commandEiPPc+0xc92)[0xfeb422]
./lmp_bara(_ZN9LAMMPS_NS5Input15execute_commandEv+0x27de)[0x8945ee]
./lmp_bara(_ZN9LAMMPS_NS5Input4fileEv+0x1f9)[0x8902a9]
./lmp_bara(main+0x7d)[0x8ab20d]
/lib/libc.so.6(__libc_start_main+0xfd)[0x2b4eb1a6bc4d]
./lmp_bara[0x508639]

2

Dear Dr. Axel Kohlmeyer

As trainee in EDF under the supervision of Dr Philippe BARANEK, I'm trying
to simulate some graphite properties using lammps. I need to use
hybrid/overlay option for it. Every time I use this option with Reax and
lcbop potential, I get this error message :

...and deservedly so. neither the reax nor the reax/c pair style
support the use in a hybrid pair style. the respective documentation
clearly says so.

axel.