NEB error: process exited without calling finalize

Hi,

I am trying to run neb on my windows computer and it kept on giving me this error. I could not find any in the documentation regarding this error.

Here’s my input script
mpiexec -np 8 lmp_mpi -p 8x1 -in neb.txt

and it gives me this error:

Greetings,

This might be a LAMMPS issue, but since MPI is handling it, it's hard to tell since this is how MPI usually aborts.
Are you able to run this in serial mode?
If so, then double check that you've installed MPI right

You can also start by running simple LAMMPS simulations of just a few atoms in serial mode (to confirm LAMMPS is working as expected).
Then if that works, run the simple simulation through MPI (this confirms your MPI is working as expected).

From there, try your LAMMPS script in serial mode, then MPI mode.

Respectfully,
Mohammad Athar

Hi,

Please send me the log.lammps.0, then I might be able to debug the error for you.

Afshin,

Hi,

I am trying to run neb on my windows computer and it kept on giving me this
error. I could not find any in the documentation regarding this error.

Here's my input script
mpiexec -np 8 lmp_mpi -p 8x1 -in neb.txt

and it gives me this error:
-----------------------------------------------------------------------------------
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 1
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 2
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0
LAMMPS (15 May 2015-ICMS)
Running on 8 partitions of processors
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 4
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 3

job aborted:
rank: node: exit code[: error message]
0: Kiong: 1: process 0 exited without calling finalize
1: Kiong: 1: process 1 exited without calling finalize
2: Kiong: 1: process 2 exited without calling finalize
3: Kiong: 1: process 3 exited without calling finalize
4: Kiong: 1: process 4 exited without calling finalize
5: Kiong: 123
6: Kiong: 123
7: Kiong: 123
-----------------------------------------------------------------------------------
Is it related to the mpi I installed or is it anything else?

difficult to say. chances are, that there is a problem with your
input. with multi-partition runs, this will not be printed to the
screen, but to a per partition file. on the other hand, the windows
executables are not much tested on these kind of applications, so
there may be a problem as well.

to check whether the executable works correctly, you could try out the
example inputs in the example/neb directory. please see the README
file in that that directory for instructions. if those inputs work as
expected, you can assume that the executable works properly and that
you need to debug your input. otherwise, we'll have to take another
look at the windows-specific code.

axel.