test.run2 1.05 KB
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#juDFT Testscript
#The following arguments are passed: executable, working directory

jt::copyfile("files/inp-2.xml","$workdir/inp.xml");
jt::copyfile("files/plot_inp",$workdir);

jt::testrun($executable,$workdir);

#now test output
$result=jt::test_fileexists("$workdir/plot.xsf");
# unit cell
$result+=jt::test_grepexists("$workdir/plot.xsf",".0000000 .0000000 11.36143");
$result+=jt::test_grepexists("$workdir/plot.xsf","1.93419");
# atom positions
$result+=jt::test_grepexists("$workdir/plot.xsf","3.35012");
$result+=jt::test_grepexists("$workdir/plot.xsf",".39481");
$result+=jt::test_grepexists("$workdir/plot.xsf","2.23341");
# density values
$result+=jt::test_grepexists("$workdir/plot.xsf","2.080016533"); # line 24
$result+=jt::test_grepexists("$workdir/plot.xsf","1.275465708"); # line 289
$result+=jt::test_grepexists("$workdir/plot.xsf","7.987664739"); # line 521
$result+=jt::test_grepexists("$workdir/plot.xsf","10.2889422");  # line 523
$result+=jt::test_grepexists("$workdir/plot.xsf","1.367065648"); # line 3018

jt::stageresult($workdir,$result,"2");