PFLOTRAN: Reactive Flow & Transport Code for Use on Laptops to Leadership-Class Supercomputers
Pp. 141-159 (19)
G. E. Hammond, P. C. Lichtner, C. Lu and R. T. Mills
PFLOTRAN, a next-generation reactive flow and transport code for modeling subsurface
processes, has been designed from the ground up to run efficiently on machines ranging from
leadership-class supercomputers to laptops. Based on an object-oriented design, the code is easily
extensible to incorporate additional processes. It can interface seamlessly with Fortran 9X, C and C++
codes. Domain decomposition parallelism is employed, with the PETSc parallel framework used to
manage parallel solvers, data structures and communication. Features of the code include a modular
input file, implementation of high-performance I/O using parallel HDF5, ability to perform multiple
realization simulations with multiple processors per realization in a seamless manner, and multiple
modes for multiphase flow and multicomponent geochemical transport. Chemical reactions currently
implemented in the code include homogeneous aqueous complexing reactions and heterogeneous
mineral precipitation/dissolution, ion exchange, surface complexation and a multirate kinetic sorption
model. PFLOTRAN has demonstrated petascale performance using 217 processor cores on problems
composed of over 2 billion degrees of freedom. The code is currently being applied to simulate uranium
transport at the Hanford 300 Area and CO2 sequestration in deep geologic formations.
High performance computing, reactive transport, carbon sequestration, multiple realizations,
multiphase flow and transport, Richards equation, domain decomposition.
Los Alamos National Laboratory, Los Alamos, NM, USA.