[Wien] error in parallel calculations

SANDEEP ARORA sndparora4 at gmail.com
Sun Dec 26 16:39:30 CET 2021


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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