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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=crystalsurfacesmoj_grant |
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#!/bin/bash #QCG queue=plgrid-long #QCG walltime=P4D #QCG note=nano3_3+hcl-gms-mp2-accd_F00_galera #QCG output=outputs/nano3_3+hcl-gms-mp2-accd_F00_galera.output #QCG error=outputs/nano3_3+hcl-gms-mp2-accd_F00_galera.error #QCG stage-in-file=nano3_3+hcl-gms-mp2-accd_F00_galera.inp -> nano3_3+hcl-gms-mp2-accd_F00_galera.inp #QCG stage-out-file=nano3_3+hcl-gms-mp2-accd_F00_galera.log -> outputs/nano3_3+hcl-gms-mp2-accd_F00_galera.log #QCG nodes=2:12 #QCG memory=16000 #QCG host=galera #QCG application=gamess #QCG argument=nano3_3+hcl-gms-mp2-accd_F00_galera.inp |
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