Difference between revisions of "LoadLeveler Chain Jobs"

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Line 14: Line 14:
 
# @ executable = mpirun32
 
# @ executable = mpirun32
 
# @ bg_size = 512
 
# @ bg_size = 512
# @ arguments = -np 512 -exe path/namd2 -cwd "path" -args "01mi.in"
+
# @ arguments = -mode VN -np 1024 -exe path/namd2 -cwd "path" -args "01mi.in"
 
# @ input = /dev/null
 
# @ input = /dev/null
 
# @ output = mi.$(step_name).out
 
# @ output = mi.$(step_name).out
Line 25: Line 25:
 
# @ dependency  = ($(job_name)_01 == 0)
 
# @ dependency  = ($(job_name)_01 == 0)
 
# @ bg_size = 512
 
# @ bg_size = 512
# @ arguments = -np 512 -exe path/namd2 -cwd "path" -args "02mi.in"
+
# @ arguments = -mode VN -np 1024 -exe path/namd2 -cwd "path" -args "02mi.in"
 
# @ input = /dev/null
 
# @ input = /dev/null
 
# @ output = mi.$(step_name).out
 
# @ output = mi.$(step_name).out
Line 36: Line 36:
 
# @ dependency  = ($(job_name)_02 == 0)
 
# @ dependency  = ($(job_name)_02 == 0)
 
# @ bg_size = 512
 
# @ bg_size = 512
# @ arguments = -np 512 -exe path/namd2 -cwd "path" -args "03mi.in"
+
# @ arguments = -mode VN -np 1024 -exe path/namd2 -cwd "path" -args "03mi.in"
 
# @ input = /dev/null
 
# @ input = /dev/null
 
# @ output = mi.$(step_name).out
 
# @ output = mi.$(step_name).out

Latest revision as of 16:41, 25 January 2010

Now all the blocks on BlueGene are dynamic blocks. If you want to run jobs one after the other, you should use the following tricks.

Suppose you want to run 3 minimization steps which are dependent. For step 2 and 3, dependency command should be used. See the example.

  1. common
  2. @ job_type = bluegene
  3. @ job_name = min
  4. @ class = normaldyn
  5. @ initialdir = /gpfs/home2/yulinh/RCR/projects_BG/inactive_ERBB_lapatinib/inactive_HER2_temp1XKK_lapatinib/N003_mdwat_namd_run2
  6. @ wall_clock_limit = 00:20:00
  7. step 1
  8. @ step_name = $(job_name)_01
  9. @ executable = mpirun32
  10. @ bg_size = 512
  11. @ arguments = -mode VN -np 1024 -exe path/namd2 -cwd "path" -args "01mi.in"
  12. @ input = /dev/null
  13. @ output = mi.$(step_name).out
  14. @ error = mi.err.$(step_name)
  15. @ notification = complete
  16. @ queue
  17. step 2
  18. @ step_name = $(job_name)_02
  19. @ dependency = ($(job_name)_01 == 0)
  20. @ bg_size = 512
  21. @ arguments = -mode VN -np 1024 -exe path/namd2 -cwd "path" -args "02mi.in"
  22. @ input = /dev/null
  23. @ output = mi.$(step_name).out
  24. @ error = mi.err.$(step_name)
  25. @ notification = complete
  26. @ queue
  27. step 3
  28. @ step_name = $(job_name)_03
  29. @ dependency = ($(job_name)_02 == 0)
  30. @ bg_size = 512
  31. @ arguments = -mode VN -np 1024 -exe path/namd2 -cwd "path" -args "03mi.in"
  32. @ input = /dev/null
  33. @ output = mi.$(step_name).out
  34. @ error = mi.err.$(step_name)
  35. @ notification = complete
  36. @ queue