MFDn Transitions

Postprocessing of nuclear wave functions from MFDn to compute transition matrix elements. Fortran with hybrid MPI/OpenMP. Production runs read terabytes of input on hundreds of ranks, and most of the work is close to embarrassingly parallel, with reductions at the end.

• Contact: Mark Caprio (mcaprio@nd.edu)
• Code: https://github.com/nd-nuclear-theory/mfdn-transitions, pinned as the code/ submodule
• Input: the repository’s small example-transitions-01 case. Production inputs are much larger, ask Mark if you want one.

Minimal run

From this directory on a CRC front end:

scripts/build.sh
mkdir -p results
qsub scripts/mfdn-small-crc.sh

The job runs the example on one node with 4 MPI ranks and 8 OpenMP threads per rank, and writes to results/run/. The example ships with reference output to compare against.