[Wien] error in running .machines file

venkatesh chandragiri venkyphysicsiitm at gmail.com
Sat Jun 16 12:02:43 CEST 2018


Dear Prof. Gavin,

I am using slurm based environment for running the jobs. I have attached
the typical script I made to submit the job. Although, I kept export &
source of  LD_LIBRARY_PATH and path to the compilervars.sh, I have also
source them again by keeping them in separate "myenev" file.

===================
#!/bin/bash -l
#SBATCH --nodes=1
#SBATCH --ntasks-per-node=24
#SBATCH --job-name=MnSb2
#SBATCH --output=out%j.txt
#SBATCH --uid=renwei
#SBATCH --partition=sz-renwei
export OMP_NUM_THREADS=1

export PATH="/THFS/home/renwei/softwares/anaconda2/bin:$PATH"
export
LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/THFS/opt/intel/composer_xe_2013_sp1.3.174/compiler/lib/intel64
export
LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/THFS/opt/intel/composer_xe_2013_sp1.3.174/mkl/lib/intel64
export
LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/THFS/home/renwei/venky/soft/libxc/lib
export
LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/THFS/home/renwei/venky/soft/fftw/lib
export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/opt/intel/impi/
5.0.2.044/intel64/lib
export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/lib64
export WIENROOT=/THFS/home/renwei/venky/soft/wien2k
source /THFS/opt/intel/composer_xe_2013_sp1.3.174/bin/compilervars.sh
intel64
source /THFS/opt/intel/composer_xe_2013_sp1.3.174/bin/ifortvars.sh intel64
source /THFS/opt/intel/composer_xe_2013_sp1.3.174/mkl/bin/mklvars.sh intel64
source /THFS/opt/intel/impi/5.0.2.044/intel64/bin/mpivars.sh intel64

source myenev

===================
script to generate .machines file
=====================

wien2k=`runsp_lapw -NI -i 200 -ec 0.00001 -cc 0.0001 -p`

srun $wien2k

===============================================================


The calculations are running on user account named "renwei" and we have a
group of students who are using the same account by creating separate
folders into it. Wien2k was installed in my local folder
"venky/soft/wien2k" and calculations are doing from "venky/wien2k_sim/MnSb".

This renwei account already contain the .ssh folder . This folder have both
"id_rsa.pub" and "authorized_keys" files. The content of id_rsa.pub file is
already copied into authorized_keys file.

After following your statement in earlier mail , the permission to the
authorized_keys was look like

-rw-r-----  authorized_keys
-rw-r--r--  id_rsa.pub

I did ssh of one of the node, it do not prompt me to password as given
below.

[renwei at ln3 ~]$ ssh cn308
Last login: Sat Jun 16 01:20:03 2018 from ln3-gn0
-bash: manpath: command not found
[renwei at cn308 ~]$


Now after doing all these, the error still persists.


venkatesh
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