How to run ACES II on the IBM-SMP nodes

Introduction

• load the ACES module

  module load aces

• or load the 64-bit ACES module

  module load aces-64

• launch the executable

  races input_file

  where input_file is the ACES II input file. Since the disk space in the home directory is sometimes limited the races script creates a temporary directory in /scratch1 that is used by ACES to store the temporary files. The ACES output file, input_file.out, will be placed in the same directory as the input_file.

  Since the SP is gone, the links are defunct.

• Example:
  Run a ACES II calculation with the input file h2o and return the output file h2o.out to the current working directory.

  races h2o

Batch running of ACES II:

• load the aces module

  module load aces

  The same procedures and commands are used if the 64-bit module has been loaded instead (module load aces-64).

• launch the executeable

  qaces [options] input_file

  where input_file is the ACES input file and the options for the qaces script are as follows: (default values in brackets)

  -h             prints the options menu
  -n [winter]    specifies the type of node (options: night, winter)
  -r [yes]       specifies if the job should be run (options: no, yes)
  -s [scracth1]  specifies the scratch space (options: scratch1, scratch2)
  -t [3:00:00]   specifies the amount of wall clock time (format hh:mm:ss)
  

  The qacesscript creates the LoadLeveler file input_file.ll, creates a temporary directory for the ACES temporary files, and submits the job to the queue. If the -r flag has been set to "no" then the job will not be submitted; however the LoadLeveler script and the temporary directory will still be created. The temporary directory is removed when the calculation has finished.

• Examples:
  1. Print out the options menu for qaces

     qaces -h

• Run the ACES job, h2o using the defaults; run on the winterhawk nodes with a maximum wall clock time of 3 hours and place the temporary files in /scratch1.

  qaces h2o

  The output file, h2o.out is created in the current working directory with the input file. The LoadLeveler script, h2o.ll is also placed in the same directory as the input file.

• Run the ACES calculation, h2o, on the nighthawk nodes with maximum wall clock time of 12 hours and place the temporary files in /scratch2.

  qaces -n night -s scratch2 -t 12:00:00 h2o

• Create the LoadLeveler script, but do not submit the job to the queue.

  qaces -r no -s scratch2 h2o

  The job can be run by typing

  llsubmit h2o.ll

  This command is echoed in the h2o.ll file.