[Wien] error in parallel calculations

[Gavin Abo]

In the .bashrc file you posted, I see:

# If not running interactively, don't do anything
case $- in
     *i*) ;;
       *) return;;
esac

Have you check if that is returning before WIENROOT is set which could 
lead to the "lapw1c: command not found".

If that this the case, the post at the following link may be helpful:

https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg18685.html

Kind Regards,

Gavin
WIEN2k user

On 12/26/2021 8:39 AM, SANDEEP ARORA wrote:
> Dear wien2k user,
>                              i have installed wien2k_21.1 in master 
> node of a cluster consisting of two nodes only without any compilation 
> error. it's working fine with serial calculations but when i tried it 
> for k point parallel calculations using test_case directory it gives 
> following error:
> x lapw1 -p
> starting parallel lapw1 at Sunday 26 December 2021 08:08:15 PM IST
> ->  starting parallel LAPW1 jobs at Sunday 26 December 2021 08:08:15 
> PM IST
> running LAPW1 in parallel mode (using .machines)
> 2 number_of_parallel_jobs
> [1] 6521
> [2] 6568
> bash: lapw1c: command not found
> bash: fixerror_lapw: command not found
> [1]  - Done                          ( ( $remote $machine[$p] "cd 
> $PWD;$set_OMP_NUM_THREADS;$t $taskset0 $exe ${def}_$loop.def 
> ;fixerror_lapw ${def}_$loop"; rm -f .lock_$lockfile[$p] ) >& 
> .stdout1_$loop; if ( -f .stdout1_$loop ) bashtime2csh.pl_lapw 
> .stdout1_$loop > .temp1_$loop; grep \% .temp1_$loop >> .time1_$loop; 
> grep -v \% .temp1_$loop | perl -e "print stderr <STDIN>" )
> bash: lapw1c: command not found
> bash: fixerror_lapw: command not found
> [2]    Done                          ( ( $remote $machine[$p] "cd 
> $PWD;$set_OMP_NUM_THREADS;$t $taskset0 $exe ${def}_$loop.def 
> ;fixerror_lapw ${def}_$loop"; rm -f .lock_$lockfile[$p] ) >& 
> .stdout1_$loop; if ( -f .stdout1_$loop ) bashtime2csh.pl_lapw 
> .stdout1_$loop > .temp1_$loop; grep \% .temp1_$loop >> .time1_$loop; 
> grep -v \% .temp1_$loop | perl -e "print stderr <STDIN>" )
>      sandy1(1) 0.000u 0.000s 0 0.00%      0+0k 0+0io 0pf+0w
>      sandy2(1) 0.000u 0.000s 0 0.00%      0+0k 0+0io 0pf+0w
> test_case.scf1_1: No such file or directory.
>    Summary of lapw1para:
>    sandy1 k=1 user=0 wallclock=0
>    sandy2 k=1 user=0 wallclock=0
> 0.196u 0.147s 0:03.10 10.6% 0+0k 248+376io 4pf+0w
>
>
> echo $WIENROOT/lapw1c provides
> /home/sandy/WIEN2k_21.1/lapw1c
> in both the nodes.
> non-parallel calculations in individual nodes is running successfully
> i have followed all instructions as mentioned in
> https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg19056.html 
>
> but didn't get a solution.
> .bashrc file is attached herewith.
> however when login passwordless through ssh it gives
>
> Welcome to Ubuntu 20.04.3 LTS (GNU/Linux 5.11.0-43-generic x86_64)
>
>  * Documentation: https://help.ubuntu.com
>  * Management: https://landscape.canonical.com
>  * Support: https://ubuntu.com/advantage
>
> 0 updates can be applied immediately.
>
> Your Hardware Enablement Stack (HWE) is supported until April 2025.
> Last login: Sun Dec 26 20:20:17 2021 from 192.168.1.9
> /home/sandy/.profile was read
> /home/sandy/.bashrc was read
> :: WARNING: setvars.sh has already been run. Skipping re-execution.
>    To force a re-execution of setvars.sh, use the '--force' option.
>    Using '--force' can result in excessive use of your environment 
> variables.
> plz suggest any solution.
> thanks
> Sandeep Arora
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