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 $wien2k =============================================================== The calculations are running on user account named "renwei" and we have a group of students who are using the same account by creating separate folders into it. Wien2k was installed in my local folder "venky/soft/wien2k" and calculations are doing from "venky/wien2k_sim/MnSb". This renwei account already contain the .ssh folder . This folder have both "id_rsa.pub" and "authorized_keys" files. The content of id_rsa.pub file is already copied into authorized_keys file. After following your statement in earlier mail , the permission to the authorized_keys was look like -rw-r----- authorized_keys -rw-r--r-- id_rsa.pub I did ssh of one of the node, it do not prompt me to password as given below. [renwei@ln3 ~]$ ssh cn308 Last login: Sat Jun 16 01:20:03 2018 from ln3-gn0 -bash: manpath: command not found [renwei@cn308 ~]$ Now after doing all these, the error still persists. venkatesh
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