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|
#!/bin/bash
if [[ $1 = "" ]]; then
echo "Please use \"make test\" to run the tests."
exit
fi
if [[ $2 = "" ]]; then
echo "Please use \"make test\" to run the tests."
exit
fi
logfile=TESTRESULTS.log
nettime=0
vsmall=0.000000001000
input=( apbs-mol-auto apbs-smol-auto apbs-mol-parallel apbs-smol-parallel)
results=( -2.297735411962E+02 -2.290122772380E+02 -2.304915804304E+02 -2.293871983649E+02 )
# Initialize the results file
date=`date`
echo "Date : ${date}" >> $logfile
echo "Directory: born" >> $logfile
echo "Results :" >> $logfile
# For each file in the directory, run APBS and get the value
for i in 0 1 2 3 4
do
echo "----------------------------------------"
echo "Testing input file ${input[i]}.in"
echo ""
procs=`grep -m 1 pdime ${input[i]}.in | awk '{print $2*$3*$4}'`
if [[ $procs != "" ]]; then
# Split the files
echo "Splitting the input file into $procs separate files using the"
echo "inputgen.py utility..."
echo ""
python $2 --split ${input[i]}.in
j=0
answer=0
starttime=`date +%s`
while [ $j -lt $procs ]
do
$1 ${input[i]}-PE$j.in > ${input[i]}-PE$j.out
a=`grep "Global net ELEC" ${input[i]}-PE$j.out | awk '{print $6}'`
echo "Processor $j result: $a"
conv=`printf "%.12f" $a`
answer=`echo "scale=12; $answer+$conv" | bc`
echo ""
let j=$j+1
done
answer=`printf "%.12E" $answer`
else
starttime=`date +%s`
$1 ${input[i]}.in > ${input[i]}.out
answer=`grep "Global net ELEC" ${input[i]}.out | awk '{print $6}'`
fi
echo "Global net energy: $answer"
sync
../scripts/checkresults.sh $answer ${results[i]} ${input[i]}.in $logfile
endtime=`date +%s`
let elapsed=$endtime-$starttime
let nettime=$nettime+$elapsed
echo "Total elapsed time: $elapsed seconds"
echo "----------------------------------------"
done
echo "Test results have been logged to ${logfile}."
echo "Total time for this directory: ${nettime} seconds."
echo "Time : ${nettime} seconds" >> $logfile
echo "" >> $logfile
|
