NAME¶

mpqcval - run the mpqc validation suite chkmpqcval - check the .out files for correctness

SYNOPSIS¶

mpqcval [files] chkmpqcval

DESCRIPTION¶

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.

EXAMPLES¶

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.