Cantera/Batch

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As an example for using Cantera, we are creating an object that represents a phase of matter and print out its properties. For this, we are using the Python interface of Cantera and run the script test.py.

[leonhard@euler02 ~]$ cat test.py
#!/usr/bin/env python

import cantera as ct

gas1 = ct.Solution('gri30.xml')
gas1()
[leonhard@euler02 ~]$ module load legacy gcc/4.8.2 open_mpi/1.6.5 python/2.7.6 boost/1.55.0 matlab/8.2 cantera/2.1.2
Autoloading openblas/0.2.13_seq
[leonhard@euler02 ~]$ bsub -n 1 -W 0:10 -R "rusage[mem=100]" "python test.py"
Generic job.
Job <35413388> is submitted to queue <normal.4h>.
[leonhard@euler02 ~]$ bjobs
JOBID      USER    STAT  QUEUE      FROM_HOST   EXEC_HOST   JOB_NAME   SUBMIT_TIME
35413388   sfux    PEND  normal.4h  euler02                 *n test.py Jan 10 14:16
[leonhard@euler02 ~]$ bjobs
JOBID      USER    STAT  QUEUE      FROM_HOST   EXEC_HOST   JOB_NAME   SUBMIT_TIME
35413388   sfux    RUN   normal.4h  euler02     e1348       *n test.py Jan 10 14:16
[leonhard@euler02 ~]$ bjobs
No unfinished job found
[leonhard@euler02 ~]$ grep -A 14 gri30 lsf.o35413388 
  gri30:
 
       temperature             300  K
          pressure          101325  Pa
           density       0.0818891  kg/m^3
  mean mol. weight         2.01588  amu
 
                          1 kg            1 kmol
                       -----------      ------------
          enthalpy         26470.1        5.336e+04     J
   internal energy    -1.21087e+06       -2.441e+06     J
           entropy         64913.9        1.309e+05     J/K
    Gibbs function    -1.94477e+07        -3.92e+07     J
 heat capacity c_p         14311.8        2.885e+04     J/K
 heat capacity c_v         10187.3        2.054e+04     J/K

The resource usage summary of the job can be found in the LSF log file.