mirror of
https://github.com/TREX-CoE/Sherman-Morrison.git
synced 2024-07-03 18:06:07 +02:00
3ee4d3b56d
- Slagel-splitting in Maponi A3 is now working. A thourough analysis on the QMC=Chem datasets still has te be done. - Acceptance tollerance in 'test_h5' on the residuals can be set at runtime now.
43 lines
951 B
Bash
Executable File
43 lines
951 B
Bash
Executable File
#!/usr/bin/env bash
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## IMPORTANT: start cycle will always be 1 because of the intention of this
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## script and the way it is written now. In fact, var. $START is not used at
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## the moment.
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## Call: $ ./run_test.sh <{sm1|sm2|sm3|maponia3}> <start cycle> <stop cycle>
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## Example: ./run_test.sh sm2 1 500
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TEST=test_h5
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ALGO=$1
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START=$2
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STOP=$3
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BLOCKSIZE=329
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TOLERANCE=1e-3
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BLOCKS=$((STOP / BLOCKSIZE))
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LEFT=$((STOP % BLOCKSIZE))
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if [[ $LEFT -ne 0 ]]
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then
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BSTART=0
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BSTOP=0
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LAST=0
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for ((i=1; i<=$BLOCKS; i++))
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do
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BSTART=$(((i-1)*BLOCKSIZE+1))
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BSTOP=$((i*BLOCKSIZE-1))
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$TEST $ALGO $BSTART $BSTOP $TOLERANCE
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LAST=$i
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done
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LSTART=$((LAST*BLOCKSIZE+1))
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LSTOP=$((LSTART+LEFT-1))
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$TEST $ALGO $LSTART $LSTOP $TOLERANCE
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else
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for ((i=1; i<=$BLOCKS; i++))
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do
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BSTART=$(((i-1)*BLOCKSIZE+1))
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BSTOP=$((i*BLOCKSIZE-1))
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$TEST $ALGO $BSTART $BSTOP $TOLERANCE
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done
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fi
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