Error when running two instances of gulp simultaneously


I am trying to run many instances of gulp in parallel on a supercomputing cluster. I have a job (the exact details of which don’t matter, I think) which I can submit and run fine on its own. When I submit more than one job (whether calling the same or different executables) simultaneously, the jobs sometimes fail with the message

  •                   GENERAL UTILITY LATTICE PROGRAM                        *
  •                             Julian Gale                                  *
  •                   Curtin Institute for Computation                       *
  •                School of Molecular and Life Sciences                     *
  •                Curtin University, Western Australia                      *

  • Version = 6.0.0 * Last modified = 6th April 2022 *

error opening file gulptmp_4_1
Program terminated in subroutine channels attempting to open unit 4

Program terminated by processor 0 in channels

I guess its a bit of an odd query and probably has more to do with the way I am running it than GULP itself, I was wonder if anyone has experience of a similar problem and a potential work around.

Best Wishes,

There are 2 ways to pass input to GULP, for example:

  1. mpirun -np 4 gulp < input.gin > input.gout
  2. mpirun -np 4 gulp input
    The first approach is fine in serial, but can be less reliable in parallel. Therefore it is recommended to use the 2nd approach in parallel (NB:“input” is the root name that will be expected for the .gin file and will produce a .gout file).