CODEWITHSUNDEEP
slurmsbatch
Ema
Ema

Reputation: 19

How to include ./porebalzer < input.dat command in slurm file?

I am analyzing the pore size of my systems. Input parameters for the calculation is in input.dat and porebalzer.exe file is required for the calculation.

I want to execute the ./porebalzer < input.dat command using a slurm file. After defining SBATCH options, how do we include the above command?

Upvotes: 0

Views: 26

Answers (1)

damienfrancois
damienfrancois

Reputation: 59072

Assuming the two files porebalzer and input.dat reside on a common filesystem such as the home directory, you simply write the line after all the #SBATCH directives; e.g.

#!/bin/bash

#SBATCH --cpus-per-task=8
#SBATCH --mem=8G

./porebalzer < input.dat

The submission script is a regular shell script with added comments so any shell command you write is interpreted (nearly) as if it were typed at the command-prompt.

Upvotes: 0

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