python /path_to_orchidas/orchidas.py task.xml [output] [options]

   task.xml         input configurational XML-file
   output           output directory, overrides the variable "path_output" from task.xml (optional)

options:

   -r, --recover    recover computation for interrupted run or continue calculations with increased number of iterations (optional)
   -i, --info       print information for running/stopped computation (optional)
   -b, --best       produce graphs/tables for the best-guess parameter combination found so far (optional)
   -p, --post       perform post simulation with posterior parameter values (optional)
   -f, --final      produce final graphs/tables/etc. (optional)
   -x, --xiter      add user-defined iterations data to plots/tables (prescribed as comma-separated list of iteration indices) (optional)

#!/bin/tcsh
#PBS -q long
#PBS -m ea
#PBS -l nodes=1:ppn=8
#PBS -l mem=16gb

module load python/3.9
cd $PBS_O_WORKDIR
python /path_to_orchidas/orchidas.py task.xml

type of queue to be used (short for 1 hour, medium for 12 hours, long for 3 days, xlong for 15 days)
e-mail notification on the job exit/abort (optional)
resources required for the job, neeeded only if "norc" > 1, then "ppn" should be equal to "norc"
requested memory, needed only for memory heavy jobs

#!/bin/bash
#SBATCH --time=3-00:00:00
#SBATCH --mem=10GB
#SBATCH --ntasks=30

module load python
cd $SLURM_SUBMIT_DIR
python /path_to_orchidas/orchidas.py task.xml

wall time limit (here 3 days)
memory required for the job
resources required for the job, neeeded only if "norc" > 1, then "ntasks" should be equal to "norc"

#!/bin/bash
#MSUB -Q long
#MSUB -T 86400
#MSUB -q rome
#MSUB -A gen6328
#MSUB -m work
#MSUB -c 8

module load python3
cd $BRIDGE_MSUB_PWD
ccc_mprun python /path_to_orchidas/orchidas.py task.xml

type of queue to be used, optional (normal for 1 day, long for 3 days)
wall time limit in seconds, depends on the queue (86400 max for normal, 259200 max for long)
partition to be used
project associated with the job
filesystem access dependencies
resources required for the job, neeeded only if "norc" > 1, then "c" should be equal to "norc"