Optimization of correlation function
From Zori Wiki
Currently Zori optimizes only the Correlation Function portion of the wave function. This section describes how to optimize the correlation function. Of particular importance is if OPT++ is installed on the machine.
If only GSL is installed on your machine, then the following optimization routines are available for use in Zori 1.0:
BFGS, FR, PR, SD, LM ... The current build of ZORI may no longer support these functions since GSL based optimization has been deprecated
If OPT++ is also installed on the machine, then the following optimization routine are also available for use in Zori 1.0:
LBFGS, TRGSS, GSS, QNTR, TRPDS, QNBT, CQ
Please note that currently the GSS routine in Zori has had the most testing.
To run an OPT++ based optimization within zori use an appropriately modified input file and run using zopt:
zopt -i opt.xml -p psi.xml -r walkers
The to run a GSL-based optimization within zori use an appropriately modified optimization input file and run using the standard zori command:
zori -i opt.xml -p psi.xml -r walkers
Multiprocessor jobs need the appropriate command such as mpirun prefixing the above command. For optimization routines that are found OPT++, one may run an optimization using zopt replacing the standard zori in the above command.
e.g. a 256 processor job might be run using:
mpirun -np 256 zopt -i your-opt.xml -p your-psi.xml -r your-walker-files > screen-output.txt
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