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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