From: Dan J Martingano (dynamic00_at_msn.com)
Date: Fri Jul 02 2010 - 22:48:42 CDT
I just had a question about submitting the loadleveler script on Bluegene. I created and submitted the one I created and each time it says that it cannot find my configuration file (using NAMD) I am wondering if I am writing the "-args" section incorrectly.
What I am submitting is this:
# @ bg_size = 32
# @ initialdir = /gpfs/home3/d/dmartingano/experiment_001
# @ input = /dev/null
# @ output = $(jobid).out
# @ error = $(jobid).err
# @ executable = /bgl/BlueLight/ppcfloor/bglsys/bin/mpirun
# @ wall_clock_limit = 72:00:00
# @ notification = complete
# @ notify_user = dynamic00_at_msn.com
# @ arguments = -exe /bgl/apps/namd2.7b1/memory-optimized/NAMD_2.7b1_Source/BlueGeneL-MPI-xlC/namd2 -mode VN -cwd /gpfs/home3/d/dmartingano/experiment_001 -args "-i 3CAP_DOPC_DOPEminequi_july2.conf -o 3CAP_DOPC1_DOPC3WIminequ1_july2.log"
# @ queue
Maybe because I am using NAMD the problem is not so obvious, but I am certain the "-args" section must be wrong since it is saying that the program cannot find the configuration file and I triple checked to make sure it is in the correct directory and such (so its not the directory of problem accessing the NAMD program.)
If anyone can shed light on the subject it is greatly appreciated!
Thanks a lot!
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