[lammps-users] reax/c error "not enough space for bonds"

Konstantin_Shefov · February 21, 2011, 4:15pm

Hello!

I ran Al_147 cluster (147 atoms) simulation with reax/c package and
had the following error:

p0: not enough space for bonds! total=79569 allocated=75841
application called MPI_Abort(MPI_COMM_SELF, -14) - process 0
rank 0 in job 98 gr8.phys.spbu.ru_45910 caused collective abort of all ranks
exit status of rank 0: return code 242

I looked in source code, but yet did not find the cause of this problem.
Are there any ways to get rid of it?

Thank you

hengji_zhang · February 21, 2011, 4:58pm

Hi,

Do you met this problem after running the simulation for a while? I met the same error message, and the author is checking for the problem. They suggest it may has to do with dynamic memory allocation.

On lonestar TACC, if I use one node with 12 cpu, the simulation can run with no problem. if I use multiple nodes, I met the same kind of error message. You may try with single CPU, or have the parallel jobs run on the same nodes to see this error can be avoid. In my case it works.

Best,
Hengji