Perple_X

Perple_X is a collection of Fortran77 programs for calculating and displaying phase diagrams, phase equilibria, and thermodynamic data.

Installed version

  • 6.8.1 compiled with GCC 4.9

use module command to show installed version: 

$ module avail perplex
perplex/6.8.1

To load the software use: 

$ module load perplex

Once loaded, on can use all available modules like: vertex, convex, …

SGE script (batch mode)

Here is an example of SGE script to use

script.sge
#!/bin/bash
 
#$ -N perplex_job
#$ -o $JOB_NAME.$JOB_ID.out
#$ -q all.q
#$ -l h_vmem=4G 
 
module load perplex
 
convex inputdata

Finally submit job to SGE: 

$ qsub script.sge

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