[Wien] slurm script

[pluto]

Dear All,

I am trying to setup the slurm submission without paswordless ssh. My 
parameters are:

- only k-parallel and OMP (no mpi)
- 8 cores per node (it is an older cluster)

I have started with this script: 
http://www.wien2k.at/reg_user/faq/slurm.job
and slightly adopted it (see the bottom of the email).

I have gotten the following error:

[lplucin at iffslurm Au-bulk-test]$ more slurm-69063.out
iffcluster0414: Using Ethernet for MPI communication.
SBATCH: Command not found.
DIRECTORY = /local/th1/topo/lplucin/Au-bulk-test
WIENROOT = /Users/lplucin/WIEN2k
SCRATCH = /SCRATCH
SLURM_NTASKS: Undefined variable.

Then I tried to define:

setenv SLURM_NTASKS_PER_NODE 8
setenv SLURM_NTASKS 32

but this did not help much, something started on one node, but crashed 
immediately.

Any advice would be appreciated!

Best,
Lukasz




#!/bin/tcsh
#SBATCH -J compound
#SBATCH --tasks-per-node=8
##SBATCH --mail-user=xxx at yyy.zzz
##SBATCH --mail-type=END

## The next 3 lines may allow some the definition of specific queues 
depending on your cluster
#SBATCH --partition topo
##SBATCH --qos=XXX
##SBATCH --account=XXX
#
#########################
#SBATCH -N 4 # define number of nodes
set mpijob=1 # define number of cores for one lapw1/2 mpi-job
##
## The lines above need to be adapted depending our your case (size of 
the
## problem and number of k-points).
## The example requests 64 cores on 4 nodes (because core_per_nodes is 
16),
## and configures WIEN2k such that 4 k-point-parallel jobs will run on 
16-cores
## (one node) in mpi-mode, i.e. it assumes that you have 4, 8, 12 ... 
k-points
## and the case is of a size that it runs reasonably on 16 cores.
## For a bigger case and only 1 k-point, you would set mpijob=64 
instead....
#########################

set cores_per_node=8
setenv OMP_NUM_THREADS 1
set lapw2_vector_split=4
setenv PSM_SHAREDCONTEXTS_MAX 4
setenv SCRATCH /SCRATCH                           # set it to 
recommended value