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General Questions and Answers / Re: Parallel code

« on: October 14, 2009, 18:36 »

Hello, I'm new to atk. I'm quite puzzled with how to run parallel calculation effectively.
I have tried to do parallel calculation on blades as the following three ways ('......' means the paths, 'CLUSTERS' means the name of the clusters):

1) use openmp
First I wrote the file openmp.sh:
[
export OMP_NUM_THREADS=4
export MKL_NUM_THREADS=4
export MKL_DYNAMIC=FALSE
....../atk/bin/atk_exec ....../xyz.py
]
Then executed:
[bsub -W 10:0 -a openmp -n 16 -R "span[hosts=1]" -q CLUSTERS -o xyz.out -e error ./openmp.sh]
It could be run, but it does not become any faster than the 4 paralleled cpu in a single node.

2) use mpi+openmp
To execute:
[export OMP_NUM_THREADS=4
bsub -W 10:0 -a intelmpi -n 16 -R "span[ptile=4]" -q CLUSTERS -o xyz.out -e error mpirun.lsf ....../atk_exec ....../xyz.py]
However it failed, cannot be run.

3) use mpi+openmp
I used openmp.sh file like 1), to execute:
[bsub -W 10:0 -a intelmpi -n 16 -R "span[ptile=4]" -q CLUSTERS -o xyz.out -e error mpirun.lsf ./openmp.sh]
It failed either.

Shall I use openmp or mpi+openmp? Shall I use .sh file? How to write the command line to run parallel calculation?
Please kindly help me as much as possible. Thank you very much!

XU Zhuo