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cut3d in Abinit

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cut3d in Abinit
Answer
7/15/14 5:05 PM
Hi,

I want to use cut3d in Abinit to analyze a non-formatted _DEN output file. Does anyone know how to properly call the cut3d utility program in a batch job for Blacklight?

Thanks,
Ellen

RE: cut3d in Abinit
Answer
12/4/14 4:03 PM as a reply to Marcela Madrid.
Hi Marcela,

I followed your instruction to write the script, but still failed. Below is my script, can you help me to see anything wrong?


module load abinit
export PBS_O_WORKDIR=$(readlink -f $PBS_O_WORKDIR)
cd $PBS_O_WORKDIR
aprun -n 24 cut3d < input.in

Thank you

Jiabo