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impossible qe
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louisponet committed Jun 14, 2018
1 parent d227d52 commit 852ca7b
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1 change: 1 addition & 0 deletions src/fileio.jl
Original file line number Diff line number Diff line change
Expand Up @@ -393,6 +393,7 @@ function write_cell(f::IO, cell::AbstractMatrix)
write(f, "$(cell[3, 1]) $(cell[3, 2]) $(cell[3, 3])\n")
end

"LOL this absolutely is impossible to do for QE"
function writeabortfile(job::DFJob, input::DFInput{QE})
abortpath = joinpath(job.local_dir,"$(flag(input, :prefix)[2:end-1]).EXIT")
open(abortpath, "w") do f
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2 changes: 1 addition & 1 deletion src/job.jl
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Expand Up @@ -271,7 +271,7 @@ end
"""
abort(job::DFJob)
Will look for the job id inside it's metadata and try to remove it from the server queue. If the lastrunning input happened to be a QE input, the correct abort file will be written. If it's Wannier90 the job will be brutally removed from the slurm queue.
Will look for the job id inside it's metadata and try to remove it from the server queue. If the lastrunning input happened to be a QE input, the correct abort file will be written. If it's Wannier90 the job will be brutally removed from the slurm queue. EDIT: It's absolutely impossible to gracefully abort a multi job script with QE... for later
"""
function abort(job::DFJob)
lastrunning = runninginput(job)
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