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Dostupne verzije su:

VerzijaModul
4.0.1.2orca/4.0.1.2
4.1.2orca/4.1.2

Aplikacija ORCA preuzeta je s https://cec.mpg.de/orcadownload/index.php .

Aplikacija je već unaprijed kompajlirana u izvršni oblik i linkana na OpenMPI 2.0.2 .

Dostupne verzije su:

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u verziji 4.0.1.2

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te OpenMPI 3.1.3 u verziji 4.1.2

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.

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Primjer korištenja:

Code Block
titlerun-orca-isabella.sge
#!/bin/sh
#$ -N orca-teran
#$ -q p28.q
#$ -pe *mpi 14
#$ -cwd

# load program environment
module load orca/4.0.1.2

# run the program
run-orca-isabella.sh job.inp

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