Hello all,
I am using Be and C system in which diamond is cutting beryllium for which potentials have been defined. Tersoff for diamond and eam pot. for Beryllium amd morse pot. between Be and C. But the error occurs.
Following is interatomic potentials code written in MD program:
pair_style hybrid tersoff eam/allloy morse 1.75
pair_coeff * * tersoff SiC.abop.tersoff NULL NULL NULL C C C
pair_coeff * * eam/alloy BeAgrawal.eam.alloy Be Be Be NULL NULL NULL
pair_coeff 13 46 morse 2.566 1.7798 1.666
ERROR on proc 0: Failed to allocate 2066932500 bytes for array neigh:binhead <…/memory.cpp:64>
Kindly suggest the solutions.
Hello all,
I am using Be and C system in which diamond is cutting beryllium for which
potentials have been defined. Tersoff for diamond and eam pot. for
Beryllium amd morse pot. between Be and C. But the error occurs.
Following is interatomic potentials code written in MD program:
pair_style hybrid tersoff eam/allloy morse 1.75
pair_coeff * * tersoff SiC.abop.tersoff NULL NULL NULL C C C
pair_coeff * * eam/alloy BeAgrawal.eam.alloy Be Be Be NULL NULL NULL
pair_coeff 1*3 4*6 morse 2.566 1.7798 1.666
*ERROR on proc 0: Failed to allocate 2066932500 bytes for array
neigh:binhead <../memory.cpp:64>*
this error message has **nothing** to do with the potentials.
axel.
Thanks for the response.
However if i use only single potential in the same program for both the elements. then there is no such error.
pair_style tersoff
pair_coeff * * BeC.tersoff Be Be Be C C C
With the other potential it is causing allocation problem.
what are the probable solutions? My system is also not very big, only 150 000 atoms and i am using 1 processor for both the cases.
Thanks for the response.
However if i use only single potential in the same program for both the
elements. then there is no such error.
*pair_style tersoff*
*pair_coeff * * BeC.tersoff Be Be Be C C C*
With the other potential it is causing allocation problem.
right away or after a while?
do you see if you visualize your system?
what are the probable solutions? My system is also not very big, only 150
000 atoms and i am using 1 processor for both the cases.
there is not enough information to say anything specific.
i have to repeat, it *cannot* be the pair_style / pair_coeff commands
causing this error directly.
axel.
It happened in the very first step.
System was fine.
It happened in the very first step.
System was fine.
there must be something bogus in your input that causes the overflow of the
memory allocation during neighbor list setup.
but you are not providing sufficient information, so there is no way to
track this down.
if you want to get constructive help, you have to follow the mailing list
guidelines and provide sufficient information and detail
http://lammps.sandia.gov/guidelines.html