EQ3/6, a software package for geochemical modeling of aqueous systems: Package overview and installation guide (Version 7.0) Page: 37 of 74
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runeqpt R10 all
(this assumes that runeqpt is in the current directory or is in a directory in your search path). To
process just the com file, for example, enter:
runeqpt RIO corn
The script renames all of the files produced, incorporating the data file key and stage number of
each data0 file processed. For example, the datal file for data0.com.R10 will be named
datal.com.R10, and the slist file will be named slist.com.R10. Naming the datal files in this
manner facilitates running EQ3NR and EQ6 under the shell script runeq36, which will be de-
scribed later in this chapter.
EQPT can also be run without using the runeqpt script. A key point is that EQPT expects the
data file to be named dataa0, and it produces a file called datal. The following command se-
quence (which is illustrated for the case of the com file) works on many UNIX operating systems
and illustrates in detail the major action of the runeqpt script
In -s data0.com.R1I0 data
eqptR80
my data datal.com.R10
rm data
my slist slist.com.R10
(this assumes that all of the referenced files have been copied into the current directory). Here
eqptR80 is the name of the executable file for EQPT. If the "In -s" command does not work, de-
lete the "-s" part. The slist (species list) file is saved by renaming it to incorporate the specific
identifiers of the data0 file. This file is a useful reference when preparing input files for EQ3NR
and EQ6. The process should then be repeated with the other data0 files, replacing com.R10 by
the corresponding strings in their full names which provide specific identification.
EQ3/6 data files from versions predating version 7.0 are incompatible with the codes in the
present package owing to changes in the data file structure and formats. If a user has extensively
modified such files and desires to continue using them with the codes in the present version, it
may be possible to do so by modifying them to match the new structure and formats, using the
data files included in the present version as guides.
The simplest way to EQ3NR or EQ6 on a UNIX system is to run the shell script runeq36 that is
provided in the export package. The directories in which the EQ3NR and EQ6 executable files
and the datal files are located must be correctly specified in this script. See the internal docu-
mentation in the script. It may be necessary to modify the script to make it work properly on your
system. You must call runeq36 as runeq3 to run EQ3NR; you must call it as runeq6 to run EQ6.
You must therefore create runeq3 and runeq6 as symbolic links to or copies of runeq36. The
symbolic links may be created by entering:
In -s runeq36 runeq3
In -s runeq36 runeq6-29-
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Wolery, T.J. EQ3/6, a software package for geochemical modeling of aqueous systems: Package overview and installation guide (Version 7.0), report, September 14, 1992; California. (https://digital.library.unt.edu/ark:/67531/metadc628087/m1/37/: accessed April 24, 2024), University of North Texas Libraries, UNT Digital Library, https://digital.library.unt.edu; crediting UNT Libraries Government Documents Department.