[Wien] Error in job submission

[Peter Blaha]

it says:  lapw1 not found   and   fixerror_lapw   not found, but it
can run lapw0.
This indicates that the installation of WIEN2k is basically ok, but the 
parallelization does not work. See:

Warning: Permanently added 'c559-803,129.114.91.5' (RSA) to the list of 
known hosts.

I don't know how your .machines file looks like (k-parallel or 
mpi-parallel ?), and wee need to know how you configured the "parallel 
calculation"  during siteconfig. (ssh/rsh, did you setup passwordless 
login?; cat $WIENROOT/parallel_options;

It seems, you cannot connect to another node ...
or when you can connect, you do not have your environment on that node.
(Consult your sysadmin).



On 04/03/2014 06:02 PM, Francisco Garcia wrote:
>
> Dear users,
>
> I am trying to run WIEN2k in a bash environment. My job script is shown
> below.
>
> #!/bin/bash -f
> #SBATCH -J test1
> #SBATCH -o test1.o%j
> #SBATCH -N 2
> #SBATCH -n 16
> #SBATCH -p normal
> #SBATCH -t 2:00:00
>
> rm -fr .machines
>
> scontrol show hostnames "$SLURM_JOB_NODELIST" | sort -u > machh
> sed -e '1,$s/^/1:/' machh > .machines
> echo 'granularity:1' >>.machines
> echo 'extrafine:1' >>.machines
> mkdir /scratch/"$SLURM_JOB_NAME"."$SLURM_JOB_ID"
> export dir=/scratch/"$SLURM_JOB_NAME"."$SLURM_JOB_ID"
> export SCRATCH=/scratch/"$SLURM_JOB_NAME"."$SLURM_JOB_ID"
> runsp_lapw -ec 0.00001 -cc 0.0001 -i 100 -p
> rm -rf $dir
>
>
>
> However I always end up with the error below. I tried changing
> environment from bash to csh upon login but the problem still persists.
> The .machines file looks fine.
>
>
> LAPW0 END
> bash: lapw1: command not found
> bash: fixerror_lapw: command not found
> Warning: Permanently added 'c559-803,129.114.91.5' (RSA) to the list of
> known hosts.^M
> bash: lapw1: command not found
> bash: fixerror_lapw: command not found
> bulk.scf1up_1: No such file or directory.
> Illegal division by zero at /work/WIEN2k_12/bashtime2csh.pl_lapw line 42.
> bash: lapw1: command not found
> bash: fixerror_lapw: command not found
> bulk.scf1dn_1: No such file or directory.
> FERMI - Error
> cp: cannot stat `.in.tmp': No such file or directory
>
>  >   stop error
>
>
> Thank you.
>
>
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>

-- 

                                       P.Blaha
--------------------------------------------------------------------------
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    WWW: 
http://info.tuwien.ac.at/theochem/
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