test.run1 893 Bytes
Newer Older
1 2 3 4 5
#juDFT Testscript

jt::copyfile("files/inp.xml",$workdir);
jt::copyfile("files/sym.out",$workdir);

6
jt::testrun("$executable ",$workdir);
7 8 9 10 11 12 13

#now test output
$result=jt::test_fileexists("$workdir/out");
$result+=jt::test_fileexists("$workdir/cdn1");
$result+=jt::test_grepexists("$workdir/out","total charge");
$result+=jt::test_grepnumber("$workdir/out","qfix","qfix= *([^ ]*)",1.0,0.00001);

14 15 16 17 18 19
$result=jt::test_grepexists("$workdir/out","it= 20  is completed");
$result+=jt::test_grepnumber("$workdir/out","new fermi energy",".*: *([^ ]*)",0.326,0.005);
$result+=jt::test_grepnumber("$workdir/out","total energy=",".*= *([^ ]*)",-2545.607,0.005);
$result+=jt::test_grepnumber("$workdir/out","distance of charge densities for it=   20",": *([^ ]*)",0.0000,0.09);
$result+=jt::test_grepnumber("$workdir/out","mm       2",".*mm       2 *([^ ]*)",1.73,0.03);

20
jt::stageresult($workdir,$result,"1");