Bfrescox

Bfrescox

Bfrescox is a BAND integration combining statistical calibration capabilities with the frescox reaction code specifically for Continuum Discretized Coupled Channel (CDCC) calculations.

A BAND SDK v0.2 Community Policy compatibility documentation for frescox is contained in frescoxbandsdk.md.

frescox Installation

This section describes how to install frescox to run a scattering code for coupled-channels calculations

frescox is publicly available at the repo https://github.com/LLNL/Frescox; more detailed documentation for earlier versions of frescox can be found at http://www.fresco.org.uk

In order to install frescox:

• Clone or download the repo https://github.com/LLNL/Frescox to your machine

• Go to directory Frescox/source, in which you will find a makefile

• Open makefile and remove one of comment prefix #s between lines 39-60 to select the appropriate machine type

  • MACH=i386 and MACH=intel have been BAND tested for macOS and intel machines

• To compile frescox, go to Frescox/source and issue the following from your terminal:

  make
  make install
  make clean

• If you obtain an error running make:

  • In line 69, there is an include fx$(MACH).def to include a definition file in the source directory for the previously selected machine architecture; you may find that running the commands below produces an error such as makefile:69: .def: No such file or directory

    • If this include does not work for your machine, comment out include by adding a # prefix, and then copy all lines in fx$(MACH).def (for your specified MACH above) to the makefile starting from the line where include is commented out

    • As an example if you select MACH=i386 on lines 39-60, then you should copy all lines in fxi386.def file to the makefile

  • In line 72 (of the original, unedited makefile), there is a line LOCAL = f14$(MACH); you may find that you need to edit this line (e.g., because you receive a fatal error: no input files; unwilling to write output files)

    • If this line does not work with your architecture, replace $(MACH) in this line with your MACH defined above

    • As an example, if you have MACH=i386, then replace LOCAL = f14$(MACH) with LOCAL = f14i386

• If you obtain an error No such file or directory running make install:

  • It assumed that the directory $(HOME)/binw exists; if it does not, you will need to create this directory (and probably the MACH-specific directory within it). Alternatively, you can replace references in makefile to $(HOME)/binw to point to whatever location in which you want the frescox executables to reside.

• To verify you have successfully compiled frescox, go to Frescox/test directory from your terminal and run one of the tests provided in that directory

  • As an example, type frescox < lane20.nin > lane20.out to run a test with input file lane20.nin, and the output file is written to lane20.out

  • If you obtain an error such as frescox: command not found, this means that the frescox executable is not in your path. You should add the location of this executable (see above reference to a subdirectory of $(HOME)/binw)

Bfrescox Tutorials

In order to verify the code works as expected and perform Bayesian calibration, please see Tutorial I.

A tutorial that uses an interactive colab notebook and that was featured at BAND Camp 2021 is available in BANDCamp21.rst.