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run GC after reading frames and show progress #42

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merged 3 commits into from
Oct 21, 2024
Merged

run GC after reading frames and show progress #42

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3201514
run GC after reading frames and show progress
lmiq Oct 21, 2024
8451ba8
fix first frame read
lmiq Oct 21, 2024
c5024b1
fix positioning first frame
lmiq Oct 21, 2024
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10 changes: 7 additions & 3 deletions src/mddf.jl
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Original file line number Diff line number Diff line change
Expand Up @@ -191,11 +191,15 @@
firstframe!(trajectory)

# Skip initial frames if desired
iframe = 0 # Counter for all frames of the input file, that must be read serially
while iframe < options.firstframe - 1
progress = Progress(options.firstframe; dt=1)
for _ in 1:options.firstframe - 1
nextframe!(trajectory)
iframe += 1
if options.GC && (Sys.free_memory() / Sys.total_memory() < options.GC_threshold)
GC.gc()

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end
options.silent || next!(progress)
end
iframe = options.firstframe - 1

# Define how the parallelization will be performed, according to the memory
# requirements of the computation
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