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changes.mady.by.user Unknown User (plgpiontek)

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changes.mady.by.user Unknown User (plgpiontek)

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Code Block
 #!/bin/bash
 
#QCG queue=plgrid-long
#QCG walltime=P4D
#QCG note=nano3_3+hcl-gms-mp2-accd_F00_galeratryton
#QCG output=outputs/nano3_3+hcl-gms-mp2-accd_F00_galeratryton.output
#QCG error=outputs/nano3_3+hcl-gms-mp2-accd_F00_galeratryton.error
#QCG stage-in-file=nano3_3+hcl-gms-mp2-accd_F00_galeratryton.inp -> nano3_3+hcl-gms-mp2-accd_F00_galeratryton.inp
#QCG stage-out-file=nano3_3+hcl-gms-mp2-accd_F00_galeratryton.log -> outputs/nano3_3+hcl-gms-mp2-accd_F00_galeratryton.log
#QCG nodes=2:12
#QCG memory=16000
#QCG host=galeratryton
#QCG application=gamess
#QCG argument=nano3_3+hcl-gms-mp2-accd_F00_galeratryton.inp
 

Aplikacja GAUSSIAN

Code Block
#QCG queue=plgrid-long
#QCG name=etanal
#QCG note=etanal Gaussian
#QCG output=${JOB_ID}.output
#QCG error=${JOB_ID}.error
#QCG stage-in-file=etanal.gjf -> etanal.gjf
#QCG stage-out-file=wynik.tar -> ${JOB_ID}.tar 
#QCG nodes=1:12
#QCG host=galera.task.gda.pl
#QCG walltime=P7D
#QCG notify=mailto:piontek@man.poznan.pl
#QCG memory=15360

#QCG preprocess=echo START
#QCG application=g09
#QCG argument=etanal.gjf 
#QCG postprocess=tar cvf wynik.tar *

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