Looks like it cannot find lapw1.

In a terminal, check if it is in the WIENROOT directory, for example:


username@computername:~/Desktop$ ls -l $WIENROOT/lapw1
-rwxrwxr-x 1 username username 2371608 Jul 14  2023 /home/username/WIEN2k/lapw1


Check what your WIENROOT location is. For example on my system, it is:


username@computername:~/Desktop$ echo $WIENROOT
/home/username/WIEN2k


You should be able use the location to check if it is in your PATH, for example:


username@computername:~/Desktop$ echo $PATH | grep -o '/home/username/WIEN2k:'
/home/username/WIEN2k:
/home/username/WIEN2k:

With a parallel calculation, it might not be finding it on a compute node.  On some systems, you might be able to ssh into each node from the terminal and use the same commands.  Some systems maybe do not allow that. In which case, your admin might have to check it for you.  Or you might be able to utilize the commands in your job script.


Hope that helps,

Gavin

WIEN2k user


On 1/14/2025 5:24 PM, delamora wrote:
Professor Laurie,
Thank you for your answer,
where can I check the PATH ?

Pablo

------------------------------------------------------------------------
*
*
I think "orden no encontrada" translates as "command not found", i.e. your PATH is wrong or similar.

---
Emeritus Professor Laurence Marks (Laurie)
www.numis.northwestern.edu <http://www.numis.northwestern.edu>
https://scholar.google.com/citations?user=zmHhI9gAAAAJ&hl=en <https://scholar.google.com/citations?user=zmHhI9gAAAAJ&hl=en> "Research is to see what everybody else has seen, and to think what nobody else has thought" Albert Szent-Györgyi

On Mon, Jan 13, 2025, 18:45 delamora <[email protected] <mailto:[email protected]>> wrote:

    Dear WIEN2k users,
    I installed
    Debian 12
    and WIEN2k seems to run fine, but running in parallel it does not
    work;
    Running in parallel it gives;
    ---------------------------
    run -p
     LAPW0 END
    bash: línea 1: lapw1: orden no encontrada *** order not found
    --------------
    bash: línea 1: fixerror_lapw: orden no encontrada
    [1]    Fin                           ( ( $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: línea 1: lapw1: orden no encontrada
    bash: línea 1: fixerror_lapw: orden no encontrada
    [2]    Fin                           ( ( $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: línea 1: lapw1: orden no encontrada
    bash: línea 1: fixerror_lapw: orden no encontrada
    bash: línea 1: lapw1: orden no encontrada
    bash: línea 1: fixerror_lapw: orden no encontrada
    [4]  - Fin                           ( ( $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>" )
    [3]  + Fin                           ( ( $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>" )
    MnO.scf1_1: No existe el fichero o el directorio.  *** file and
    directory do not exist
    --------------
    grep: *scf1*: No existe el fichero o el directorio
    FERMI - Error
    cp: no se puede efectuar `stat' sobre '.in.tmp': No existe el
    fichero o el directorio
    grep: *scf1*: No existe el fichero o el directorio

    Saludos

    Pablo
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