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Re: [lammps-users] Error in ReaxFF simulations
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Re: [lammps-users] Error in ReaxFF simulations


From: Ray Shan <rshan@...1795...>
Date: Mon, 18 Sep 2017 04:48:04 +0000

1.      Please send emails to the LAMMPS mailing list, not to me.

2.      Please follow the posting guidelines: http://lammps.sandia.gov/guidelines.html

 

Ray

 

From: Rajesh <creativeidleminds@...24...>
Date: Sunday, September 17, 2017 at 9:42 PM
To: Ray Shan <rshan@...1795...>
Subject: Re: [lammps-users] Error in ReaxFF simulations

 

Dear Ray,

Please find the attached input files.

 

On Mon, Sep 18, 2017 at 10:04 AM, Ray Shan <rshan@...1795...> wrote:

Please follow the suggestion given to you by Michal by following the LAMMPS mailing list posting guidelines.  How are people going to be able to help you without knowing the crucial information?

 

Ray

 

From: Rajesh <creativeidleminds@...24...>
Date: Sunday, September 17, 2017 at 9:01 PM
To: LAMMPS Users Mailing List <lammps-users@lists.sourceforge.net>
Subject: [lammps-users] Error in ReaxFF simulations

 

Dear lammps users

I am facing the below mentioned error only with reaxff simulation. I also tested the simulation with airebo potential, its working fine. Also, the same simulation is running fine on our institute's hpc cluster. Please suggest.

 

[user:03193] *** Process received signal ***

[user:03193] Signal: Segmentation fault (11)

[user:03193] Signal code: Address not mapped (1)

[user:03193] Failing at address: 0x24e1682e0

[user:03193] [ 0] /lib/x86_64-linux-gnu/libpthread.so.0(+0x11390)[0x7f0fcd324390]

[user:03193] [ 1] lmp_mpi(_Z14Validate_ListsP12_reax_systemP7storagePP10_reax_listiiiiP19ompi_communicator_t+0x19e)[0x7b652e]

[user:03193] [ 2] lmp_mpi(_Z17Init_Forces_noQEqP12_reax_systemP14control_paramsP15simulation_dataP7storagePP10_reax_listP15output_controlsP19ompi_communicator_t+0x3c1)[0x7b6981]

[user:03193] [ 3] lmp_mpi(_Z14Compute_ForcesP12_reax_systemP14control_paramsP15simulation_dataP7storagePP10_reax_listP15output_controlsP13mpi_datatypes+0x43)[0x7b72a3]

[user:03193] [ 4] lmp_mpi(_ZN9LAMMPS_NS9PairReaxC7computeEii+0x192)[0x127cbe2]

[user:03193] [ 5] lmp_mpi(_ZN9LAMMPS_NS6Verlet3runEi+0x595)[0xaacaa5]

[user:03193] [ 6] lmp_mpi(_ZN9LAMMPS_NS3Run7commandEiPPc+0x35b)[0x13f613b]

[user:03193] [ 7] lmp_mpi(_ZN9LAMMPS_NS5Input15command_creatorINS_3RunEEEvPNS_6LAMMPSEiPPc+0x39)[0x16a9709]

[user:03193] [ 8] lmp_mpi(_ZN9LAMMPS_NS5Input15execute_commandEv+0x85f)[0x16a7a3f]

[user:03193] [ 9] lmp_mpi(_ZN9LAMMPS_NS5Input4fileEv+0x337)[0x16a85a7]

[user:03193] [10] lmp_mpi(main+0x46)[0x5f4d36]

[user:03193] [11] /lib/x86_64-linux-gnu/libc.so.6(__libc_start_main+0xf0)[0x7f0fcbfa4830]

[user:03193] [12] lmp_mpi(_start+0x29)[0x5f8919]

[user:03193] *** End of error message ***

--------------------------------------------------------------------------

mpirun noticed that process rank 24 with PID 0 on node user exited on signal 11 (Segmentation fault).