On 1/04/2012 4:50 AM, Albert wrote:
Hello:

  I am trying to run g_tune_pme in blue gene with following script:

# @ job_name = bm
# @ class = kdm-large
# @ account_no = G07-13
# @ error = gromacs.info
# @ output = gromacs.out
# @ environment = COPY_ALL
# @ wall_clock_limit = 160:00:00
# @ notification = error
# @ job_type = bluegene
# @ bg_size = 64
# @ queue
mpirun -exe /opt/gromacs/4.5.5/bin/g_tune_pme -args "-v -s md.tpr -o bm.trr -cpo bm.cpt -g bm.log -launch" -mode VN -np 256

but I've got the following messages as soon as I submit jobs and it terminate soon:

---gromacs.info--------------
<Mar 31 20:45:57.677742> BE_MPI (ERROR): Job execution failed
<Mar 31 20:45:57.677803> BE_MPI (ERROR): Job 10969 is in state ERROR ('E')
<Mar 31 20:44:58.476985> FE_MPI (ERROR): Job execution failed (error code - 50) <Mar 31 20:44:58.477065> FE_MPI (ERROR): - Job execution failed - job switched to an error state <Mar 31 20:45:57.714358> BE_MPI (ERROR): The error message in the job record is as follows: <Mar 31 20:45:57.714376> BE_MPI (ERROR): "Load failed on 192.168.101.49: Executable file is not a 32-bit ELF file"

This means the executable is unsuitable for the hardware to run. Front and back ends of BlueGene are different hardware, of course.

<Mar 31 20:44:58.691897> FE_MPI (ERROR): Failure list:
<Mar 31 20:44:58.691923> FE_MPI (ERROR): - 1. Job execution failed - job switched to an error state (failure #50)

g_tune_pme relies on being able to spawn mpirun processes and measure their performance. Back-end BlueGene/L jobs cannot spawn new processes, and I'm skeptical that BlueGene/P would be able to do this either (but P is less restrictive). So you will need to run g_tune_pme compiled for the front end in your job script, and consult g_tune_pme -h for clues on how to set up your job script so that g_tune_pme can correctly call mpirun to invoke mdrun_mpi on the back end.

Mark
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