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#QCG host=bem
#wymaganie pamieci w mb
#QCG memory=2000
#liczba wezlow/rdzeni
#QCG nodes=1:4
#QCG application=abaqus
#QCG argument=design.inp
#QCG stage-in-file=design.inp
#QCG stage-out-dir= . -> abaqus-results-${JOB_ID}
#QCG output=output.${JOB_ID}
#QCG error=error.${JOB_ID}
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#QCG queue=plgrid-long #QCG note=4QLsTi+Ni_h3 #QCG output=myjob.log #QCG error=myjob.error #QCG stage-in-file=Bi2Se3.in #QCG stage-in-file=Bi2Se3x.files #QCG stage-in-file=34se.6.hgh #QCG stage-in-file=83bi.5.hgh #QCG stage-in-file=22ti.4.hgh #QCG stage-in-file=28ni.10.hgh #QCG stage-out-dir=. -> results-${JOB_ID} #QCG nodes=1:8 #QCG memory=12000 #QCG host=hydra #QCG walltime=P7D #QCG application=abinit #QCG argument=Bi2Se3x.files #QCG grant=moj_grant |
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#!/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 |
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#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=galeratryton.task.gda.pl #QCG persistent #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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#QCG note=NAMD apoa1 #QCG name=ex_1 #QCG host=hydra.icm.edu.pl #QCG walltime=PT10M #QCG queue=plgrid #QCG nodes=1:12:12 #QCG persistent #QCG output=apoa1.output #QCG error=apoa1.error #QCG application=NAMD #QCG argument=apoa1/apoa1.namd #QCG stage-in-file=apoa1.zip #QCG preprocess=unzip apoa1.zip #QCG stage-out-dir=. -> results #QCG notify=xmpp:tomasz.piontek@plgrid.pl #QCG watch-output=mailto:tp@mail,20,ENERGY |
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#QCG note=CPminV04_mpi1024 #QCG host=galeratryton.task.gda.pl #QCG nodes=4:12:2 #QCG queue=plgrid #QCG stage-in-dir=.->. #QCG stage-in-file=../minV04 #QCG stage-out-dir=outdata #QCG stage-out-file=log module load openmpi mpirun -machinefile $QCG_NODEFILE --cpus-per-proc 6 --bysocket ./minV04 > log |
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#!/bin/bash
#QCG walltime=PT5M
#QCG parameter-sweep=MONTH->list:Jan,Feb
#QCG parameter-sweep=DAY->for:0..10..5
#QCG output=${JOB_ID}.output
echo ${JOB_ID} parameters: MONTH=${MONTH} DAY=${DAY}
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