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1. Create an unique directory in your scratch space for this calculation (substitute your user name is the commands below):
   
   

   Code Block
   language bash
   mkdir /scratch/user_name/may24_run2/

2. Report back to a file in your home directory as to which node the calculation is running on and the time it started. This will help you track down the results when it is finished.
   
   

   Code Block
   language bash
   /usr/bin/hostname > /home/user_name/may24_run2.log /usr/bin/date >> /home/user_name/may24_run2.log

3. Now that we have created the directory, we need to move all the necessary input files over from the home directory.
   
   

   Code Block
   language bash
   cp /home/user_name/input_store/input.dat /scratch/user_name/may24_run2/

4. Hop into the directory we created

   Code Block
   language bash
   cd /scratch/user_name/may24_run2

5. Start the calculation
   
   

   Code Block
   language bash
   /home/user_name/bin/cool_program.x < input.dat > may24.out.run

6. Report back when the calculation is finished. Leave some info in our home directory log file.
   
   

   Code Block
   language bash
   echo "Job Done" >> /home/user_name/may24_run2.log /bin/date >> /home/user_name/may24_run2.log

7. Copy results back back to a directory in your home directory (make sure you have previously created the "output_store" folder in your home directory)
   
   

   Code Block
   language bash
   cp /scratch/user_name/may24_run2/may24.out.run /home/user_name/output_store/

8. Clean up the scratch space on the node so as to not fill up the disk
   
   

   Code Block
   language bash
   rm -rf /scratch/user_name/may24_run2

Ensure that your batch file containing the above commands is executable:

$ chmod u+x batch_file.run

And when you start the batch file with srun, use the -b option so srun know that the file contains a series of commands:

$ srun -b batch_file.run

You will see a new job listed when you type squeue .

Running Parallel Calculations

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