Thursday, January 17, 2008

Running parallel pw.x on the LoneStar of TACC: on site/condorG/condor-birdbath APIs

(1) submit to the LSF queue on Lonestar
bsub -I -n 4 -W 0:05 -q development -o pwscf.out ibrun /home/teragrid/tg459247/vlab/espresso/bin/pw.x < /home/teragrid/tg459247/vlab/__CC5f_7/Pwscf_Input (2) submit through condorG script file Globus RSL parameter is available at
Actual script file is following,
executable = /home/teragrid/tg459247/vlab/bin/pw_mpi.x
transfer_executable = false
should_transfer_files = yes
when_to_transfer_output = ON_EXIT
transfer_input_files = /home/leesangm/catalina/VLAB_Codes/__CC5f_7/008-O-ca--bm3.vdb,/home/leesangm/catalina/VLAB_Codes/__CC5f_7/__cc5_7,/home/leesangm/catalina/VLAB_Codes/__CC5f_7/Mg.vbc3
universe = grid
grid_resource = gt2
output = tmpfile.out.$(Cluster)
error = condorG.err.$(Cluster)
log = condorG.log.$(Cluster)
input = /home/leesangm/catalina/VLAB_Codes/__CC5f_7/Pwscf_Input
x509userproxy = /tmp/x509up_u500
globusrsl = (environment=(PATH /usr/bin))\


(3) submit through condor birdbath APIs
Almost the same with serial job submission except for setting up the wall clock time. When you generate globusrsl, add


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