quantum-espresso/atomic_doc/pseudo-test/test.job

26 lines
720 B
Bash
Executable File

#!/bin/bash
work=./results
reference=./reference
ld1dir=../../atomic
mkdir $work
rm -f $work/*
$ld1dir/ld1.x < s.in > $work/s.out
$ld1dir/ld1.x < ni.in > $work/ni.out
$ld1dir/ld1.x < rh.in > $work/rh.out
$ld1dir/ld1.x < al.in > $work/al.out
$ld1dir/ld1.x < ga.in > $work/ga.out
$ld1dir/ld1.x < as.in > $work/as.out
diff $work/s.out $reference/s.out > difference
diff $work/ni.out $reference/ni.out >> difference
diff $work/rh.out $reference/rh.out >> difference
diff $work/al.out $reference/al.out >> difference
diff $work/ga.out $reference/ga.out >> difference
diff $work/as.out $reference/as.out >> difference
mv Garel.tm.UPF $work
diff $work/Garel.tm.UPF $reference/Garel.tm.UPF >> difference