Install MPIIO pakacge

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1

Hello lammps users
I want to install mpiio package to to use restart option. I follow instructions

  1. make yes-mpiio #install mpiio pakage
  2. make mpi # make executable

But when i use command
restart save.restart.mpiio

it gives error using mpiio when MPIIO package is not installe.

Any suggestion.

Thanks.

Rajesh

2

Hello lammps users
I want to install mpiio package to to use restart option. I follow
instructions

​you don't need MPIIO for restarts in general. it is only needed for
restarts using *parallel I/O*. this is only giving you a benefit, if you
are running across thousands of processors on a machine with suitable
hardware, like an IBM BlueGene.​ for all other cases, the regular restart
functionality is doing just fine.

1. make yes-mpiio #install mpiio pakage
2. make mpi # make executable

But when i use command
restart save.restart.mpiio

it gives error using mpiio when MPIIO package is not installe.

Any suggestion.

​are you sure that you are using the new executable in your run and not an
old one?

axel.​

3

Dear Axel
Yes, I am using new executable. When I save restart file with command
Restart 50000 save.restart

On my Ubuntu machine, I get error that mpirun unable to read restart file. I think this is due to that I am using -NP 4 and 2 threads per mpi task and I think I need command

Restart 50000 save.restart.mpiio

to save the restart file! I for that I need mpiio package. Or is there any other command that I can use to save restart file to run on parallel mpi?

4

Dear Axel
Yes, I am using new executable. When I save restart file with command
Restart 50000 save.restart

On my Ubuntu machine, I get error that mpirun unable to read restart file.

​mpirun doesn't read your restart, LAMMPS does.

I think this is due to that I am using -NP 4 and 2 threads per mpi task and

I think I need command

Restart 50000 save.restart.mpiio

to save the restart file! I for that I need mpiio package. Or is there any
other command that I can use to save restart file to run on parallel mpi?

​that is nonsense. ​

​axel.​

5

OK. You can say that lammps is giving error in reading restart file.

6

I'm not sure about your problem,
however if the file could not be found,
can you try to specify an absolute path
and check that your path is correct?
(General advice)

Best,
S.