test.run3 1.99 KB
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#juDFT Testscript
#The following arguments are passed: executable, working directory

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

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

#now test output

$result=jt::test_fileexists("$workdir/WF1.amn");
$result+=jt::test_fileexists("$workdir/WF1.mmn");
$result+=jt::test_fileexists("$workdir/WF1.eig");
$result+=jt::test_fileexists("$workdir/WF1.win");
$result+=jt::test_fileexists("$workdir/WF1.wout");
$result+=jt::test_grepexists("$workdir/WF1.eig","           1           1   -9.96004957");
$result+=jt::test_grepexists("$workdir/WF1.eig","           8           1   24.36259922");
$result+=jt::test_grepexists("$workdir/WF1.eig","           8           8   27.60170066");
$result+=jt::test_grepexists("$workdir/WF1.eig","           5           6   16.51363508");
#Note:WF1.amn and WF1.mmn seem to differ strongly from the reference result.
#But this does not seem to be relevant as invoking wannier90.x WF1 yields high precision results.
#$result+=jt::test_grepexists("$workdir/WF1.amn","    8    8    8");
#$result+=jt::test_grepexists("$workdir/WF1.amn","    1    1    1      -0.21709150");
#$result+=jt::test_grepexists("$workdir/WF1.amn","    8    2    1       0.000000000000    0.29174760");
#$result+=jt::test_grepexists("$workdir/WF1.amn","    2    6    2       0.000000000000   -0.01714566");
#$result+=jt::test_grepexists("$workdir/WF1.amn","    3    5    2      -0.18082932");
#$result+=jt::test_grepexists("$workdir/WF1.amn","    8    8    8       0.000000000000   -0.11210751");
#$result+=jt::test_grepexists("$workdir/WF1.amn","    6    7    8      -0.33695808");
#$result+=jt::test_grepexists("$workdir/WF1.mmn","    8    8    8");
#$result+=jt::test_grepexists("$workdir/WF1.mmn","    1    2      0   0   0");
#$result+=jt::test_grepexists("$workdir/WF1.mmn","   -0.757938912603");
#$result+=jt::test_grepexists("$workdir/WF1.mmn","    0.257799685127");
#$result+=jt::test_grepexists("$workdir/WF1.mmn","    8    7      0   0   1");

jt::stageresult($workdir,$result,"3");