[Wien] Parallel running

[Gavin Abo]

Looks like it cannot find lapw1.


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


username at 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 at 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 at 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 <delamora at unam.mx 
> <mailto:delamora at unam.mx>> 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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