danifranco / dcrab Goto Github PK
View Code? Open in Web Editor NEWDCRAB (Dipc Control and Report Application in Bash)
License: GNU General Public License v3.0
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dcrab's Issues
DCRAB_REQ_CPUT assign error
The variable DCRAB_REQ_CPUT is no set correctly when the PBS first head lines have comments as:
#PBS -q parallel
#PBS -l nodes=1:ppn=4
#PBS -l cput=40:00:00 # CPU time (Walltime * Ncores)
#PBS -l mem=32Gb
#PBS -N qchem_calc
#PBS -e error.log
#PBS -o output.log
Adapt DCRAB to SLURM
Adapt DCRAB with Singularity
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