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 0.1 -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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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300 FAX: +43-1-58801-165982
Email: bl...@theochem.tuwien.ac.atWWW:
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