Versions 3.3.3

[dlparkhurst]

October 23, 2015: Updates for all PHREEQC programs (version 3.3.3, svn 10424).

http://wwwbrr.cr.usgs.gov/projects/GWC_coupled/

Phreeqc:

A Pitzer formula for temperature-dependent constants was not valid below -10 C. The formula has been revised, and frezchem.dat calculations at temperatures below -10 C should now converge.

PhreeqcRM:

Added methods and documentation for RM_GetEndCell and RM_GetStartCell for C and Fortran. C++ methods already existed. The methods give the range of chemistry cell numbers that are assigned to each worker (OpenMP) or process (MPI). If rebalancing is enabled, these numbers may change as cells are shifted among workers or processes.

Timing for rebalancing was changed to use MPI and OpenMP clock functions; previously the C clock() function was used under some conditions, which did not provide enough resolution and could generate a NaN for during the efficiency calculation.

When compiled with debug, an error message could cause an assert; the code was revised to avoid the assert and allow error messages to std:cerr under all conditions.

PHAST:
 
HDF file was not handled correctly with intermediate HDF files were saved, but no SELECTED_OUTPUT was defined. P4W installer now continues even if MPI fails to install; the MPI version of PHAST will not work, but the OpenMP version will still run.