I find that when I run lammps (install from conda-forge) with the following command (submitted by sbatch
), the detail error won’t be print but only mpi process failed
lmp -in lmp.in
Error:
--------------------------------------------------------------------------
MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD
Proc: [[41923,0],0]
Errorcode: 1
NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
You may or may not see output from other processes, depending on
exactly when Open MPI kills them.
--------------------------------------------------------------------------
But if I run with
mpirun -np 1 lmp -in lmp.in
Then I will get the error message I need to fix the issue.
Is there any way to make lammps print detail error without mpirun?