debian man page for mpqcval

MPQCVAL(1)						      General Commands Manual							MPQCVAL(1)

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.

Version 2							    15 Feb 2008 							MPQCVAL(1)