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#QCG host=novabem #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.${JOB_ID} |
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#!/bin/bash #QCG queue=plgrid-long #QCG walltime=P4D #QCG note=nano3_3+hcl-gms-mp2-accd_F00_galeratryton #QCG output=outputs/nano3_3+hcl-gms-mp2-accd_F00_galeratryton.output #QCG error=outputs/nano3_3+hcl-gms-mp2-accd_F00_galeratryton.error #QCG stage-in-file=nano3_3+hcl-gms-mp2-accd_F00_galeratryton.inp -> nano3_3+hcl-gms-mp2-accd_F00_galeratryton.inp #QCG stage-out-file=nano3_3+hcl-gms-mp2-accd_F00_galeratryton.log -> outputs/nano3_3+hcl-gms-mp2-accd_F00_galeratryton.log #QCG nodes=2:12 #QCG memory=16000 #QCG host=galeratryton #QCG application=gamess #QCG argument=nano3_3+hcl-gms-mp2-accd_F00_galeratryton.inp |
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#QCG queue=plgrid-long #QCG name=etanal #QCG note=etanal Gaussian #QCG output=${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 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=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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