Notes on Computational Materials Physics
Thursday, July 29, 2010
PBS file on TACC
#!/bin/csh
#$ -V
#$ -cwd
#$ -N m3x3
#$ -j y
#$ -m abe
#$ -pe 16way 16
#$ -q normal
#$ -l h_rt=24:00:00
#$ -M ...mail...
#$ -A TG-MSS******
set echo
module load intel scalapack mkl
ibrun /share/....../apps/bin/transiesta <> 3x3.out
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