openMP

[LCarniato]

Hi, I need to speed up a field scale simulation with PHT3D (a MT3DMS based simulator which uses PHREEQC to solve the geochemical processes). I have optimized the PHREEQC script by minimizing the CPU time required to solve the reaction network in batch.

I would like to use multithreading computation on a single machine using openMP (profiling the simulation I see that most of the CPU time is spent on the cl1 function). Is there an openMP version of PHREEQC available? Will multithreading make the field simulation faster?

Thank you

Luca

[dlparkhurst]

We have not parallelized PHREEQC, neither with OpenMP nor MPI, although we have thought about it some. However, I think there is a parallel version of PHT3D, but perhaps not publicly available. For reactive transport, the parallelization is usually done by sending cells to different threads, rather than using multiple threads to solve one cell.

PHAST is a 3D saturated-zone reactive transport model that is based on PHREEQC. It is parallelized with MPI. However, it may not have all of the capabilities that you need for flow. We are also working on an OpenMP version of PHAST.