[Wien] error in running .machines file

[Peter Blaha]

cd $WIENROOT
edit parallele_options and set    USE_REMOTE and MPI_REMOTE to zero.

Then there is no ssh anymore. (But you can use only one node for k-parallel)

Regards

Am 16.06.2018 um 12:02 schrieb venkatesh chandragiri:
> 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 
> <http://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 
> <http://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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-- 
--------------------------------------------------------------------------
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
WWW: 
http://www.imc.tuwien.ac.at/tc_blaha-------------------------------------------------------------------------