stop alphamelts

[roman@ipgp.fr]

Hi everyone,
I am writing python scripts to launch and process alphamelts simulations in batch mode. I was wandering if there is a way to stop the calculation when a certain value of a variable is reached. For instance, say, when liquid phase reach 60 percent in SiO2 content, or when melt fraction becomes lower than 20%.
Thank you,
alberto

[Paula]

Hi Alberto,

Sorry for the delay in replying.

There is not currently a way to stop the calculation at a particular liquid composition (unless it's MgO or Mg#), though it is something to think about adding to alphaMELTS 2 / libalphaMELTS / libpHMELTS.

For the melt fraction example, can you use phase diagram mode? Or do you mean increment in temperature, say, and just use the melt fraction as a criterion for continuing the calculation (e.g. as an alternative to MINT)?

Would it be possible to let the calculation run to some PT limits and then do some file processing in Python to pick out the correct stopping point? Of course, it may stall or fail in which case it can be difficult to return cleanly (see here for a Matlab version). It's something I'm looking into at the moment - how to make sure that if libalphaMELTS fails it returns to Matlab/Python, rather than aborting completely!

If you let me know a bit more of what you are trying to model (here or via email) then I will see if I can be of more help.

Best,
Paula