Problem WARNING text-interface on Linux

[oldpetros]

Hello!

I use alphaMelts for melting/crystallization diorite and granite composition.
my file:

Title: phase2
Initial Composition: SiO2 61.2
Initial Composition: TiO2 0.55
Initial Composition: Al2O3 12.5
Initial Composition: Fe2O3 0.6
Initial Composition: FeO 6.63
Initial Composition: CaO 2.13
Initial Composition: Na2O 2.45
Initial Composition: K2O 3.76
Initial Composition: H2O 10.00
Initial Temperature: 800.00
Final Temperature: 500.00
Increment Temperature: 1.00
Initial Pressure: 5000.00
Final Pressure: 5000.00
Increment Pressure: 0.00
dp/dt: 0.00
log fo2 Path: FMQ
log fO2 Delta: -4.0
Mode: fractionate fluids
Mode: fractionate solids

As you view compo is watersaturated (estimate on MagmaSat).
First - I calculate this in GUI rhyolite-MELTS (Uuntu 18.04 64-bit) = Ok.
(I not find Liquidus :))

Second - i tired calculate in alphaMelts2 (1.1.0) but:
- lines Log fo2...Mode not used, but i check this and set manually.
- if use step 3 (1) - crush...
- i use step 4 and send:
RUN-ALPHAMELTS.COMMAND WARNING: Incorrect format in output file "Phase_main_tbl.txt".
File has already been processed? Please check that alphamelts ran properly.

A attach full log:

~/APP_PROGRAM/alphamelts231$ ./run-alphamelts.command -f '/home/alex/APP_PROGRAM/alphamelts231/alphamelts_settings.txt'
Checking for updates ... 2.03 ... 2.03.01
ALPHAMELTS_MAXP +40000
ALPHAMELTS_MINT 400
ALPHAMELTS_MODE isobaric
ALPHAMELTS_DELTAT -10
ALPHAMELTS_MASSIN 0.001
ALPHAMELTS_DELTAP +1000
ALPHAMELTS_VERSION MELTS
ALPHAMELTS_SKIP_FAILURE true
ALPHAMELTS_2_AMPH true
ALPHAMELTS_SAVE_ALL true
ALPHAMELTS_FRACTIONATE_WATER true
ALPHAMELTS_MINP +1
ALPHAMELTS_FRACTIONATE_SOLIDS true
ALPHAMELTS_MAXT +2000
ALPHAMELTS_CELSIUS_OUTPUT true


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): y
---> Calculation mode is rhyolite-MELTS (public release v 1.1.0).

*** alphaMELTS 2.3.1 (Aug  3 2024 10:26:51) -- rhyolite-MELTS P-T path w/ or w/o liquid ***

This front end is the work of Paula Antoshechkina (nee Smith) and Paul Asimow and it
uses the rhyolite-MELTS and pMELTS algorithms developed by Mark Ghiorso & co-workers.
You are welcome to use and distribute this program, under the condition that you
acknowledge all the contributors by citing the appropriate references with any results.
See Smith & Asimow (2005), documentation and the GitHub Wiki for details.

Unable to automatically check for updates; check for updates at
https://github.com/magmasource/alphaMELTS

alphaMELTS main menu (enter 'x' when done):
 1. Read MELTS file to set composition and system properties
 2. Twiddle starting or continuation parameters
 3. Single (batch) calculation
 4. Execute (follow path, mineral isograd or melt contour)
 5. Set fO2 buffer
 6. Set H2O (ppm) or aH2O
 7. Impose isenthalpic, isentropic or isochoric conditions
 8. Adjust solid phase settings (including fractionation)
 9. Adjust liquid or fluid settings (including melt extraction)
10. Turn phase diagram mode on / off (includes wet liquidus)
11. Turn geothermal, grid or PT-path file mode on / off
12. Source mixer / Remixer (includes AFC and flux melting)
13. Update system properties, or I/O settings
14. Write out one or more MELTS files
15. Write thermodynamic output for all phases
16. Calculate integrated melt and output file(s)
17. Fit parental melt composition with amoeba
-1. Turn off menu display for options 1-17
 X. QUIT
Your choice: 1
MELTS filename: 1003_f2.melts
Error during input file read, offending record: log fo2 delta: -4.0

alphaMELTS main menu (enter 'x' when done):
 1. Read MELTS file to set composition and system properties
 2. Twiddle starting or continuation parameters
 3. Single (batch) calculation
 4. Execute (follow path, mineral isograd or melt contour)
 5. Set fO2 buffer
 6. Set H2O (ppm) or aH2O
 7. Impose isenthalpic, isentropic or isochoric conditions
 8. Adjust solid phase settings (including fractionation)
 9. Adjust liquid or fluid settings (including melt extraction)
10. Turn phase diagram mode on / off (includes wet liquidus)
11. Turn geothermal, grid or PT-path file mode on / off
12. Source mixer / Remixer (includes AFC and flux melting)
13. Update system properties, or I/O settings
14. Write out one or more MELTS files
15. Write thermodynamic output for all phases
16. Calculate integrated melt and output file(s)
17. Fit parental melt composition with amoeba
-1. Turn off menu display for options 1-17
 X. QUIT
Your choice: 8
Solid phase(s) to change settings for ('all' for all; 'x' when done): all
Setting to adjust (enter 'x' when done):
 1. Suppress all solid phases
 2. Allow all standard solid phases; optionally limit maximum number
 3. Do not fractionate any solid phases (current)
 4. Fractionate all standard solid phases
 5. Change whether residual solid is measured by solid mass frac (1-F), or fractionation coefficient(s), or default (current)
 6. Adjust amount of solid fractionated during fractionation (1.000000) unless individual values or default bahavior
Choose: 4
Setting to adjust (enter 'x' when done):
 1. Suppress all solid phases
 2. Allow all standard solid phases; optionally limit maximum number
 3. Do not fractionate any solid phases
 4. Fractionate all standard solid phases (current)
 5. Change whether residual solid is measured by solid mass frac (1-F), or fractionation coefficient(s), or default (current)
 6. Adjust amount of solid fractionated during fractionation (1.000000) unless individual values or default behavior
Choose: x
Solid phase(s) to change settings for ('all' for all; 'x' when done): x

alphaMELTS main menu (enter 'x' when done):
 1. Read MELTS file to set composition and system properties
 2. Twiddle starting or continuation parameters
 3. Single (batch) calculation
 4. Execute (follow path, mineral isograd or melt contour)
 5. Set fO2 buffer
 6. Set H2O (ppm) or aH2O
 7. Impose isenthalpic, isentropic or isochoric conditions
 8. Adjust solid phase settings (including fractionation)
 9. Adjust liquid or fluid settings (including melt extraction)
10. Turn phase diagram mode on / off (includes wet liquidus)
11. Turn geothermal, grid or PT-path file mode on / off
12. Source mixer / Remixer (includes AFC and flux melting)
13. Update system properties, or I/O settings
14. Write out one or more MELTS files
15. Write thermodynamic output for all phases
16. Calculate integrated melt and output file(s)
17. Fit parental melt composition with amoeba
-1. Turn off menu display for options 1-17
 X. QUIT
Your choice: 9
Phase(s) to change settings for ('liquid', 'liquid n', where n>=1, or 'fluid'; 'x' when done): fluid
Setting to adjust (enter 'x' when done):
 1. Suppress fluid phase
 2. Limit number of fluid phase allowed to join assemblage (unlimited)
 3. Do not fractionate / degas fluid phase  (current)
 4. Fractionate / degas fluid phase
 5. Change whether residual fluid is measured by fluid vol frac, solid mass frac (1-F), from ratio extracted, or default (current)
 6. Adjust amount of fluid extracted during fractionation / degassing (1.000000) unless default behavior
Choose: 4
Setting to adjust (enter 'x' when done):
 1. Suppress fluid phase
 2. Limit number of fluid phase allowed to join assemblage (unlimited)
 3. Do not fractionate / degas fluid phase
 4. Fractionate / degas fluid phase  (current)
 5. Change whether residual fluid is measured by fluid vol frac, solid mass frac (1-F), from ratio extracted, or default (current)
 6. Adjust amount of fluid extracted during fractionation / degassing (1.000000) unless default behavior
Choose: x
Phase(s) to change settings for ('liquid', 'liquid n', where n>=1, or 'fluid'; 'x' when done): x

alphaMELTS main menu (enter 'x' when done):
 1. Read MELTS file to set composition and system properties
 2. Twiddle starting or continuation parameters
 3. Single (batch) calculation
 4. Execute (follow path, mineral isograd or melt contour)
 5. Set fO2 buffer
 6. Set H2O (ppm) or aH2O
 7. Impose isenthalpic, isentropic or isochoric conditions
 8. Adjust solid phase settings (including fractionation)
 9. Adjust liquid or fluid settings (including melt extraction)
10. Turn phase diagram mode on / off (includes wet liquidus)
11. Turn geothermal, grid or PT-path file mode on / off
12. Source mixer / Remixer (includes AFC and flux melting)
13. Update system properties, or I/O settings
14. Write out one or more MELTS files
15. Write thermodynamic output for all phases
16. Calculate integrated melt and output file(s)
17. Fit parental melt composition with amoeba
-1. Turn off menu display for options 1-17
 X. QUIT
Your choice: 4
Starting guess to use (enter 'x' to return):
0. Norm-calculated subsolidus assemblage
1. Superliquidus starting guess at current temperature (800.00 C).
2. Superliquidus starting guess at liquidus temperature.
3. Superliquidus starting guess at wet liquidus temperature.
Choose: 1
Maximum number of steps to take, or 0 for 'unlimited' (i.e. limited by other criteria);
enter negative number to limit failed steps instead (e.g. -4 to skip failure 4 times): -10
...Checking saturation state of potential solids.
...Projecting equality constraints.
RUN-ALPHAMELTS.COMMAND WARNING: alphamelts may have crashed!


RUN-ALPHAMELTS.COMMAND WARNING: Incorrect format in output file "Phase_main_tbl.txt".
File has already been processed? Please check that alphamelts ran properly.

PS. Before my calc i check alpaMelts on Morb compo - calculation is ok!
I use Debian.

please help, what could I have missed in the settings?
Thanks, Alexey

Code Select Expand

[Paula]

Hi Alexey,

I haven't had a chance to debug this fully but a few points in the meantime:

• Yes, you won't be able to find the liquidus of a water-saturated magma in the GUI, as it doesn't have the "Find Wet Liquidus" function. alphaMELTS has it (same implementation as used by MELTS for Excel) but you'll need choose 3 for the Starting guess instead of 1.
• The .melts file and settings_file you are have are alphaMELTS 1.X (which doesn't have the rhyolite-MELTS models). For the current alphaMELTS software you don't usually need the settings_file.
• The only difference for the .melts file is that you need to replace "Log fO2 Delta:" with "Log fO2 Offset:". This is so that alphaMELTS can be more consistent with other MELTS software, such as the Magma Chamber Simulator. Then it should read in the file ok, set the buffer to FMQ - 4 (you probably had FMQ + 0 previously), and turn on fractionation of solids and fluids without you needing to use the menu options.
• If you don't have CO2 in the composition then Rhyolite-MELTS 1.1.0 (new CO2, old H2O) is the same as Rhyolite-MELTS 1.0.2 (no CO2, old H2O). You should select Rhyolite-MELTS 1.2.0 to get the new H2O model.
• One other thing is that you might want to suppress rutile (happy to elaborate another time on why this is the case). Also I would try adding a little MgO to the bulk composition to stabilize the calculation.

With 0.4 grams of MgO I found the wet liquidus at ~1000^oC and the calculation ran down to ~650^oC. You can try smaller amounts of MgO.

You may still get a warning that alphamelts may have crashed (there's a small bug that I need to fix). But this time it won't stop the files being written out and processed correctly.

More soon,
Paula

[oldpetros]

Thanks, Paula!

• "need choose 3 for the Starting guess instead of 1."- ok, but i recive Tliq=~5000C (this problem i read on forum, also)
• For alphaMelts2 not neeed settings file. All settings write in .melts file. Its correctly? 
• "You should select Rhyolite-MELTS 1.2.0 to get the new H2O model" . I recalc for this variant=ok. But in my last composition contain Quartz-Feldspar! Only v1.1.0 calibration for this?
• I suppress rutile. This for compensation Ti-end-member for biotite? Ti in middle and felsic compositions is essential. In database for Thermocalc/Theriak Domino Ti-Bio included. 

How to solve inconsistency p1 and p3?

best wishes, Alexey

[Paula]

Hi Alexey,

Yes, you have all the settings correct in the .melts file. The rest - things like Celsius output and 2 amphiboles - are default now, so no mention of these is needed in the .melts file.

Does it have plagioclase? If not, I would use v1.2.0. If it does (have plag), and you are trying to model the ternary minimum then I'm not sure what to suggest offhand but I'll have another go with it after the holiday.

Borisov and Aranovich (https://doi.org/10.1016/j.chemgeo.2020.119817) uncovered an error that means that rutile does not usually crystallize in MELTS when it should. alphaMELTS has a workaround for that but, as the MELTS models were calibrated in part with phase-present / phase-absent constraints, the adjustment can mean that rutile is over stabilized. For backwards compatibility with other MELTS software you may need to suppress rutile.

The biotite model in MELTS has an error in the coding and does not contain TiO2. It's something I was hoping to revisit in the new year (depending on funding).

Best wishes,
Paula