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enabling trace elements with alphamelts?

Started by elipes, January 06, 2026, 01:20:45 PM

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elipes

Hi Paula,

I'm struggling with what may be a fairly basic problem with alphaMELTS in getting the program to read trace elements in my input .txt file. The alphaMELTS manual states I need to set ALPHAMELTS_DO_TRACE to true before reading in the file but I currently don't see any option to do that in a command window.

I call the entire directory containing AlphaMELTS:

elizabeth.p@Elizabeths-MacBook-Pro-3 AlphaMELTS % alphamelts_macos
ALPHAMELTS_CALC_MODE not set!

---> Default calculation mode is rhyolite-MELTS (v. 1.0.2).  Change this? (y or n): y
     Set calculation mode to rhyolite-MELTS (public release v 1.1.0)? (y or n): n
     Set calculation mode to rhyolite-MELTS (public release v 1.2.0)? (y or n): n
     Set calculation mode to pMELTS (public release v 5.6.1)? (y or n): y
---> Calculation mode is pMELTS (public release v 5.6.1).

From here I can read in my input file, as follows:

Here's my input file:
Title: Sample average
Initial Composition: SiO2 46.8
Initial Composition: TiO2 0.18
Initial Composition: Al2O3 3.87
Initial Composition: Cr2O3 0.44
Initial Composition: FeO 9.24
Initial Composition: Fe2O3 0.01
Initial Composition: MgO 36
Initial Composition: CaO 3.06
Initial Composition: Na2O 0.051
Initial Trace: Zr 10.5
Initial Trace: Hf 0.283
Initial Trace: Y 4.3
Initial Trace: Sc 16.2
Initial Temperature: 1200.00
Final Temperature: 1200
Initial Pressure: 1
Final Pressure: 1
Increment Pressure: -100
Log fO2 Path: None
Log fO2 Delta: None
mode: fractionate liquid
output: both

It reads the file fine until it gets to Zirconium and says: Error during input file read, offending record: initial trace: zr 10.5.

How can I get around this? Thank you in advance for any insight into solving this!!

Best wishes, Elizabeth P (Univ. of Florida)