mpqcval [files]



The mpqcval tool runs the whole mpqc validation suite or at least the part of it specified.

The chkmpqcval tool checks the .out files for correctness.


First create a directory

  • mkdir /tmp/mpqc-val && cd /tmp/mpqc-val

To run the whole validation suite, which might take a lot of time, now run

  • mpqcval

Or if only parts of the validation suite should be run e.g.

  • mpqcval /usr/share/mpqc/validate/h2o_*

Then to check the correctness of .out files

  • chkmpqcval

If everything is alright, you get output like

        h2o_mp2006311gssc1:          ok ok E:99 D1L:99 X:OK
        h2o_mp2006311gssc1opt:       ok ok E:99 Geom:99 D1:99 D2:99 S2L:99 X:OK D1L:99 X:OK

and so on.