error('no arguments provided to jobrun_vesta\nfirst argument to jobrun_vesta must be the exe name\nvalid options are: {0}\nan example for each executable is shown below\n{1}'.format(exe_name_list,examples))
#end if
# get the exe name and any arguments for the exe itself
error('must provide a single argument to pw.x, the input file\narguments provided: {0}\n(pw.x can accept other inputs outside the training environment)'.format(exe_arg_list))
#end if
infile = exe_arg_list[0]
if guard:
if not os.path.exists(infile):
error('pw.x input file does not exist: {0}'.format(infile))
command = 'qsub -A {0} -n {1} -t {2} {3}'.format(account,nodes,time,script_file)
elif exe_name=='pw2qmcpack.x':
#==============#
# pw2qmcpack.x #
#==============#
if len(exe_arg_list)!=1:
error('must provide a single argument to pw2qmcpack.x, the input file\narguments provided: {0}\n(pw2qmcpack.x can accept other inputs outside the training environment)'.format(exe_arg_list))
#end if
infile = exe_arg_list[0]
if guard:
if not os.path.exists(infile):
error('pw2qmcpack.x input file does not exist: {0}'.format(infile))
command = 'qsub -A {0} -n {1} -t {2} {3}'.format(account,nodes,time,script_file)
elif exe_name=='qmcpack' or exe_name=='qmcpack_comp':
#=========#
# QMCPACK #
#=========#
if len(exe_arg_list)!=1:
error('must provide a single argument to qmcpack, the input file\narguments provided: {0}\n(qmcpack can accept other inputs outside the training environment)'.format(exe_arg_list))
#end if
infile = exe_arg_list[0]
if guard:
if not os.path.exists(infile):
error('qmcpack input file does not exist: {0}'.format(infile))