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[lammps-users] reax/c with eam
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[lammps-users] reax/c with eam


From: Subodh Tiwari <sctiwari@...114...>
Date: Sat, 15 Jul 2017 21:20:16 -0700

Dear lammps users,

 I am trying to use reax/c with eam. I have 4 different type of atom treated with reax/c and 5th atom with eam potential. I am getting following error. I am not sure if this problem is memory related or some other issues. I am using ~300000 atoms on 1440 cores. 

"ERROR on proc 2: Failed to allocate 9731128776 bytes for array pair:frho (../memory.cpp:64)"

Similar message from other processors as well. I am attaching my input file, forcefield. I couldn't attach datafile due to large size.  

Attachment: Pb_real.set
Description: Binary data

Attachment: log
Description: Binary data

Attachment: in.pb_k
Description: Binary data

Attachment: ffield.reax
Description: Binary data

Attachment: lmp_control
Description: Binary data