Reaction plus Pro 2

Last update: Sep 11, 2026

About Reaction plus Pro 2

Please check the page on HPC Systems' official website.

Manual (in Japanese) can be found in /apl/reactionpluspro/2.1.0/manuals. Unfortunately, English manual is not available.

Limitations in RCCS

  • Up to 128 CPU cores can be used for Reaction plus Pro 2.
  • Reaction plus Pro 2 can be used in jobs. You can't run it on login nodes.
  • Multi node parallel runs are not available.
  • One group can run up to two Reaction plus Pro 2 jobs.
    • The third and subsequent jobs will be rejected upon submission.

How to Run

You can run Reaction plus Pro 2 jobs with g16sub, g09sub or jsub.  The special option "--rppro2" is necessary upon job submission.

Please prepare input file of Reaction plus Pro 2 (file extension msut be ".gjf" or ".com"). Sample input files can be found in /apl/reactionpluspro/2.1.0/samples and /apl/reactionpluspro/2.1.0/examples.

g16sub, g09sub

Specify "--rppro2" option and Reaction plus Pro 2 input file for g16sub/g09sub. You can also specify "-np" and other options. Number of CPU cores and available amount of memory will be automatically added to the input file by g16sub/g09sub. 

g16sub -np 32 --rppro2 va.gjf

jsub

Sample job script files are available in /apl/reactionpluspro/2.1.0/samples. "sample-g16.sh" will use Gaussian 16m and "sample-g09.sh" will use Gaussian 09.

You need to add "--rppro2" option when submitting Reaction plus Pro 2 job with jsub. Number of CPU cores and available memory amount should be described in the Reaction plus Pro 2 input file before the submission.

jsub --rppro2 sample-g16.sh

When "--rppro2" is specified on submission, you can use ${RPPRO2} in the job script. ${RPPRO2} contains path of the directory where executables reside (reactg16 or reactg09). You might want to add ${RPPRO2} to PATH environment variable (e.g. export PATH=${RPPRO2}:$PATH).

Check License Usage

The current usage stat can be shown with jobinfo -s command.

$ jobinfo -s
...
Queue Status (H):
----------------------------------------------------------------------
      job         | free   |     free     | # jobs  |  requested  
      type        | nodes  | cores (gpus) | waiting | cores (gpus)
----------------------------------------------------------------------
special types
----------------------------------------------------------------------
rppro2            |      0 |    128       |       0 |      0      
...

When no Reaction plus Pro 2 jobs are submitted, the status above should be displayed.

  • If the jobs are running, the number of free cores should be smaller than 128.
  • If there are waiting jobs right columns (# of jobs, # of cores requested by waiting jobs) may have values other than 0.
  • (value for free nodes is always 0 for this)

Notes

  • The Reaction plus Pro 2 input file extension must be ".gjf" or ".com".
  • You can submit two 128 core jobs. In this case, at least one job will be queued.
  • Two 32 core jobs (64 cores in total) can run simultaneously. Other groups can use remaining 64 cores for their Reaction plus Pro 2 jobs.
  • For Reaction plus Pro 2 jobs with g16sub/g09sub, the amount of available memory etc. is specified as with a standard Gaussian jobs.