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[OLD] Difference between Unix and PC versions


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From: Jennifer Houghton

Subject: Difference between Unix and PC versions

I am trying to set up a simple problem in React for a class I teach (illustrating complexation) and the older Unix version will allow me to solve it while the newer PC version will not. Any ideas?

The script is:

Cu+ = 10 mmolal

Na+ = 10 mmolal

Cl- = 20 mmolal

slide log activity Cl- to 1


I've tried many variations on the PC and I keep getting booted out of the program completely with a message that says "lost species". The Unix version will solve this problem.


From: Craig Bethke

Subject: Re: Difference between Unix and PC versions

React release 3.0.x sometimes has a problem in that it "loses" the charge balance species, or a species set at fixed activity. The problem is a memory allocation error and affects only the first species in your run, when the species are listed in alphabetical order. This bug will of course be fixed in future releases. There are a number of workarounds, but the simplest is to add to your run a species such as Ag+ that appears early in the alphabet. For example, if you include the command

Ag+ = 10^-12 molal

in your script, it will work fine.By the way, the script as it is set up has charge balance problems. You might add the command balance on Na+ to eliminate these.

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