mpirun error for various commands in LIGGGHTS

Submitted by ishaandesai on Thu, 11/10/2016 - 07:41

Hello,

I am getting the following error when I try to define a third particle in addition to the first two particles already being defined. The same error also occurs when I try to insert an if-then statement. Please help.

#distributions for injection
fix pts1_1 all particletemplate/sphere 15973 atom_type 2 density constant 1175.0 radius constant 0.01
fix pdd1 all particledistribution/discrete 74573 1 pts1_1 1.0
fix pts1_2 all particletemplate/sphere 49081 atom_type 3 density constant 2000.0 radius constant 0.001
fix pdd2 all particledistribution/discrete 80489 1 pts1_2 1.0
fix pts1_3 all particletemplate/sphere 24358 atom_type 4 density constant 1175.0 radius constant 0.011
--------------------------------------------------------------------------
mpirun has exited due to process rank 0 with PID 8778 on
node TSPL-086 exiting improperly. There are two reasons this could occur:

1. this process did not call "init" before exiting, but others in
the job did. This can cause a job to hang indefinitely while it waits
for all processes to call "init". By rule, if one process calls "init",
then ALL processes must call "init" prior to termination.

2. this process called "init", but exited without calling "finalize".
By rule, all processes that call "init" MUST call "finalize" prior to
exiting or it will be considered an "abnormal termination"

This may have caused other processes in the application to be
terminated by signals sent by mpirun (as reported here).
--------------------------------------------------------------------------

richti83's picture

richti83 | Thu, 11/10/2016 - 08:46

have a look in liggghts.log file, I bet there is an error like "atom_types needs to start with 1".
Enable console output with echo both, what you've posted is only the mpi error message but not any liggghts output.

I'm not an associate of DCS GmbH and not a core developer of LIGGGHTS®
ResearchGate | Contact

ishaandesai | Fri, 11/11/2016 - 08:55

Thanks richti83 . LIGGGHTS is not producing any output because of this error. Anyway i figured out a way around this one, but this error is still coming when I try to implement an if-then command.

Also, I want to delete and create atoms during the simulation but want to have control over individual atoms during these processes. For eg. if two particles collide, I want both of them deleted and a new one created in the same position. Currently the create_atoms and delete_atoms commands do not allow such flexibility. Is there a way around this ?