Révision f43a1b4c modules/script_grandes_molecules+diss.sh

b/modules/script_grandes_molecules+diss.sh
354 354
		sed -i 's/EPS_SCF/EPS_SCF\ 1E-07\ #/g' ${dir}/surf_${nom_de_la_molecule}.inp
355 355
		# launches the calculation
356 356
		cd $dir/
357
		qsub ${mol_dir}/relaunched_calculations/cp2k_gamma.j
357
		new_job_id=$(qsub ${mol_dir}/relaunched_calculations/cp2k_gamma.j | awk '{print $3}')
358
    echo "Submitted job $new_job_id"
359
    jobs_owned+=($new_job_id)
358 360
		cd -
359 361
	done
360 362
fi
361 363

  
362

  
364
### Attente jusqu'à ce que tous les calculs aient fini
365
go_on=true
366
while [ $go_on == true ]; do
367
  all_jobs=`qstat | tail -n+3 | awk '{print $1}'`
368
  for j1 in ${jobs_owned[@]} ; do
369
    for j2 in ${all_jobs[@]}; do
370
      if [ $j1 == $j2 ]; then
371
        sleep 30
372
        continue 3
373
      fi
374
    done
375
  done
376
  echo "loop finished"
377
  go_on=false
378
done
363 379

  

Formats disponibles : Unified diff