Frescox

Scattering code Frescox for coupled-channels calculations

FRESCOX FRXY version 7.3 at https://github.com/LLNL/Frescox

LLNL-CODE-811517

This directory contains four sub-directories: source, man, test and util.

The source/ directory contains : Fortran files .f, fx.def files for separate machines

File nagstub.f in the case you do not have the nag library locally.

The test/ directory contains : at least 6 test jobs xeta, lane20 & f19xfr, e80f49b, on2 & be11

The man/ directory contains the instruction manual in latex: frescox-input-manual.tex: latex source frescox-input-manual.pdf: printable output More documentation is at http://www.fresco.org.uk/documentation.htm

To compile FRESCOX,

1. Enter frxy/source, and then edit the makefile for your target machine, by setting the MACH variable as appropriate (either in the makefile or in our local shell setup), by choosing the file nagstub.f if the NAG library not available

The script 'mk' attempts to guess the correct MACH settings
for ordinary frescox version AND compile in a corresponding subdirectory.

2. Set up ~/binw/a=rch to point to directory for storing the binary

3. Copy your aliases to e.g. ~/.fresco.aliases Edit FRESCOXLIB according to 2) above Execute .fresco.aliases e.g. in .cshrc by including: source ~/.fresco.aliases

If you are to install frescox yourself in a standard bin directory, then steps 3 and 4 may be omitted, and step 2' performed manually.

If your compiler is gfortran, for example, then: 2') Compile the subroutines required by:

	mk gfortran
    make MACH=gfortran

4. Install, to copy `frescox' to the FRESCOXLIB. make MACH=gfortran install

5. Clean up, with: make clean

To compile parallel versions:

1) There 4 options for run-time scripts that  follow binary name;

frescox_all:         serial     frescox
frescom_mpi_all:     MPI        frescom
frescoo_op_all :     OpenMP     frescoo
frescoom_op_mpi_all: MPI and OpenMP frescoom

2) To compile in the source/ directory, run

	mk  <compiler>-<parallels> -j 10 install

	where
		<compiler> = intel or gfortran
		<parallels> = mpi or mpich or openmp or op+mpi

	The ‘mk’ script looks for all the compilation options 
	in file fx<compiler>-<parallels>.def and builds in 
	directory <compiler>-<parallels>/

To run FRESCOX,

1. Enter test/ directory.

2. The scripts include commands to construct temporary 'data' files. These scripts are run by just saying e.g. frescox < lane20.nin > lane20.out See file 'do-all.bat' to run all the test cases

3. In the test/legacy directory there are executable 'job' run scripts To save the output in a file .e.g. `out', run the scripts by lane20.job > out & or simply (using the 'run' command in the 'aliases' file):; run lane20.job to use input file lane20.job and produce output file lane20.out.

4. To save any other output files from frescox, e.g. fort.16 for cross sections, touch lane20.xsecs ln -s lane20.xsecs fort.16 before running frescox. The file fort.16 may have to be called for016.dat on some machines.

Please let me know if you have any questions or problems:

I.Thompson@fresco.org.uk

Cheers, Ian Thompson July 2025