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


From: Ray Shan <rshan@...1795...>
Date: Sun, 16 Jul 2017 15:46:40 +0000

Yes, there is not enough physical memory for EAM to allocate an array for frho.  This usually occurs when you have too large a system, or you have bad initial configuration (most likely too dense).

 

Ray

 

From: Subodh Tiwari <sctiwari@...114...>
Date: Saturday, July 15, 2017 at 9:20 PM
To: "lammps-users@lists.sourceforge.net" <lammps-users@lists.sourceforge.net>
Subject: [lammps-users] reax/c with eam

 

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.