Description: EQ3/6 is a software package for modeling chemical interactions in aqueous systems of geologic and engineering interest, such as water/rock, water/nuclear waste, and water/nuclear waste/rock. It is being used for a broad range of applications for the Yucca Mountain Site Characterization Project (YMSCP), including predictions of mineralogical changes in the altered zone, man-made materials investigations, and calculations of the long-term release of radionuclides from a variety of waste forms. Version 7.2a was the first qualified version of this software (certified on Aug. 17, 1994). Version 7.2b followed on Aug. 18, 1995 and is the most recent qualified version; it differs from version 7.2a only in that defects noted in the qualification report (Kishi, 7/12/94) were resolved. The present report describes the software maintenance and support activities that were carried out for the Version 7 line of the software in FY97. The most important of these activities is maintaining a system for the logging, documenting, and resolving software defects. This is required by the QARD (Supplement 1) in order for the software to remain certified. Other maintenance activities are necessary to retain functionality as computer hardware, operating systems, programming languages, and compilers change. In FY97, 12 software defects were logged and resolved, and two more were logged and awaiting resolution. These ranged in nature from the trivial to the serious. The corrected software will be released as version 7.2c in the first quarter of FY98. A version 8 line of totally rewritten code in modern Fortran, restructured to support new functionality, and with new capabilities for ion exchange modeling, pressure corrections, and redox disequilibrium, was completed to a baseline level in FY95. Subsequent activities required to complete qualification were not funded in FY96 and FY97. However, in FY97, each line of the software (version 7 and version 8) has been checked ...
Date: September 26, 1997
Creator: Wolery, T. J.
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