[Wien] slurm mpi

[Peter Blaha]

When setting USE_REMOTE=0 it means, that you do not use "ssh" in 
k-parallel mode.
This has the following consequences:
What you write for "hostname" in .machines is not important, only the 
number of lines counts. And it will span as many k-parallel jobs as you 
have lines (1:hostname), but they all will run ONLY on the "masternode", 
i.e. you can use only ONE node within your slurm job.

When you use mpi-parallel (with MPI_REMOTE=0 AND MPIRUN command is the 
"srun ..." command), it will use a srun command to span the mpi job, not 
the usual mpirun command. In this case, however, "hostname" must be the 
real name of the nodes where you want to run. The slurm-script as to 
find out the node-names and insert them properly.

Am 06.05.2019 um 14:23 schrieb webfinder at ukr.net:
> Dear wien2k users,
> 
> wien2k_18.2
> I'm trying to run a test task on a cluster with slurm batch system using 
> mpi parallelization.
> 
> In "parallel_options" USE_REMOTE=0, MPI_REMOTE=0.
> (during the siteconfig_lapw the slurm option was chosen)
> 
> the k-point parallelization works well. But if I change the "slurm.job" 
> script to produce .machines file for mpi run
> (e.g. from
> 1: hostname
> 1: hostname
> ....
> to
> 1: hostname hostname ....)
> 
> there is always a error message:
> permission_denied, please try again.
> permission_denied, please try again
> permission_denied, please try again (....)
> 
> How can I solve this?
> How could it be that k-point parallelization works but mpi not?
> 
> P.S. I have also tried after getting "nodelist" from batch system to 
> include ssh-copy-id command to slurm.job script to copy the keys but the 
> result is the same.
> 
> Thank you for the answers!
> 
> 
> 
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-- 
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
Email: blaha at theochem.tuwien.ac.at    WIEN2k: http://www.wien2k.at
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