Dear David PHAST seems to be working fine now - for further optimization here are some minor quirks Time control: I noticed an interesting feature. I had the following couple of lines at the end of a *.trans.dat file: PRINT_FREQUENCY -HDF_chemistry 1 seconds -xyz_chemistry 5000 seconds -force_chemistry_print 0 TIME_CONTROL -delta_time .25 seconds -end_time 10 seconds END TIME_CONTROL -delta_time 5 seconds -end_time 10000 seconds END Unintentionally I had left a 1 (forgot to edit it) for the -HDF_chemistry PRINT_FREQUENCY, though my intention was to set a -delta_time to 5 seconds (except for the first 10 seconds). What happened is that PHAST chose to use 1 second as -delta_time. In principle the safe choice in terms of not missing anything - but it did increase the simulation time considerably and it also meant that the output was rather large. KR Rasmus ___________________________________________________ Rasmus Jakobsen | | Technical University of Denmark | ||||||///_ | E&R Building 204 | /|"""""""| | DK-2800 Lyngby | [ 0 0 ] | ________________________________| | | | | Phone: +45 45 25 21 73 | | " | | Fax: +45 45 88 42 76 | \ === / |_____________________ | ----- NEW e-mail: raj@xxxxxxxxx | ________________________________|_________________|~~~~~~~~~~~~~~~~~~~~~ E&R (Environment & Resources DTU) was formed January 1st 2001 in a merger of IGG, ISVA, and IMT. New homepage: www.er.dtu.dk -----Original Message----- From: David L Parkhurst [mailto:dlpark@xxxxxxxx] Sent: 13. december 2002 23:40 To: phreeqc_list@xxxxxxxxxxxxxxxxxxxxxx Subject: PHAST: 3D Reactive-Transport Model PHAST Release Candidate 1 (Beta test version RC1) ========== PHAST RC1: ========== PHAST is a 3D reactive transport model that combines PHREEQC with HST3D, a ground-water flow and transport model. Capabilities are limited to constant density, constant temperature flow plus a full suite of reaction capabilities. PHAST uses a purely sequential algorithm that solves first for the transport of multiple components, reacts each cell of the domain by using PHREEQC, and then repeats transport and reaction until each transient stress period has been completed. PHAST beta test version RC1 is now available at https://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phast with executables for Windows, Linux, and Sun. No source code is released. The program has been extensively tested. No additional features and only minor bug fixes are anticipated before official release of the program. Documentation for the flow and transport input is provided in a PDF file distributed with PHAST. All chemical definitions are identical to PHREEQC and you are referred to the PHREEQC User's manual for documentation. ModelViewer (developed by Paul Hsieh and Scott Charlton) is distributed with the Windows version. It provides 2D and 3D visualization and animation of PHAST results that have been written to the HDF file. ModelViewer has capabilities to slice, rotate, contour, and animate. Phastexport is included in the distribution. Phastexport is a Java program that extracts data stored in the HDF file and writes the data to an ascii file that is suitable for post-processing. ===================================== MAJOR CHANGES FROM PHAST VERSION 0.3: ===================================== (1) A few keyword data blocks for the flow and transport data file have been added or changed. Current data input definitions are available in the file phast.pdf in the doc directory of the installation. (2) Installation of phast is now simplified by using InstallShield (Windows) and RPM (Linux and Sun). (3) Scripts (Unix and Windows) have been written to automate the running of phastinput and phast. (4) The HDF file is now written directly while running phast; previously, the HDF file was produced from a "selected-output" file by ModelViewer. (5) The HDF file now contains information on boundary cells (specified head, leaky, flux, river, and well), which can be visualized by ModelViewer with the Features menu. (6) Flow vectors at nodes are now calculated and may be written to the HDF file and visualized. (7) The output files have been simplified to two main formats: ".O" files can be viewed in an editor and usually contain data formatted in 2D slices, and ".xyz" files contain data for a single cell on a single line (each line contains x, y, z, time , a wet/dry flag, followed by data); .xyz files are suitable for spreadsheets and other post processing. (8) A Java program, phastexport, allows selected data from the HDF file to be extracted and written to a file in .xyz format for postprocessing. Thus, most data can be stored in and retrieved from the HDF file, minimizing the need for writing .O and .xyz files. (9) Several log files have been merged or eliminated; all errors, warnings, input echoing, and log messages are directed to the file prefix.log. (10) Problems with multilayer rivers have been corrected. (11) All identified bugs have been fixed. (12) MPI (LAM and MPICH) has been used to parallelize PHAST. Test versions of the parallel program are available on a limited basis by contacting David Parkhurst (dlpark@xxxxxxxx). No support will be provided for installing, debugging, or invoking MPI on your system. ========= PHREEQC: ========= The current version of PhreeqcI is 18.104.22.168, released May 31, 2002. The current version of PHREEQC is 2.6, released April 22, 2002. ====== BUGS: ====== Report to dlpark@xxxxxxxxx Ken Kipp (klkipp@xxxxxxxx) David Parkhurst (dlpark@xxxxxxxx) U.S. Geological Survey Box 25046, MS 413 Denver Federal Center Denver, CO 80225 Project web page: https://wwwbrr.cr.usgs.gov/projects/GWC_coupled
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