Contents

#! /usr/bin/env ruby
# coding: utf-8

require "optparse"
require "yaml"
require "pp"

require "rubygems"
gem "comana"
require "comana/queuesubmitter.rb"
require "comana/machineinfo.rb"

require "vasputils/vaspdir.rb"
require "vasputils/vaspgeomopt.rb"

## option analysis
OPTS = {}
op = OptionParser.new
#op.on("-e"        , "--economy", "Prior efficiency."         ){OPTS[:e] = true}
op.on("-s"        , "--speed"  , "Prior speed to efficiency."){OPTS[:s] = true}
op.on("-n nodes"  , "--nodes"  , "Node series."              ){|v| OPTS[:n] = v}
#op.on("-c command", "--command", "Command to calculate."     ){|v| OPTS[:c] = v}
op.on("-d dir"    , "--dir"    , "Directory to calculate."   ){|v|
  #OPTS[:d] = VaspDir.new(v)
  OPTS[:d] = VaspGeomOpt.new(File.expand_path(v))
}
op.parse!(ARGV)

OPTS[:machineinfo] = MachineInfo.load_file
OPTS[:c] = "runvasp -g"

qs = QueueSubmitter.new(OPTS)
#pp qs; exit
begin
  qs.start
  puts "Submitted. Exit."
  exit
rescue QueueSubmitter::AlreadyStartedError
  puts "Already started. Exit."
  exit
rescue QueueSubmitter::PrepareNextError
  puts "Must not happen."
  exit
end

Version data entries

1 entries across 1 versions & 1 rubygems

Version	Path
vasputils-0.0.6	bin/qsubvasp