source mixer output errors

[jakemoore]

Paula,
Greetings.  I'm having trouble getting output when using the source mixer.  I'm trying to mix melts pooled at 3GPa from a MORB source with DMM at 3GPa, and I'd then like to run this mix adiabatically.  I thought I was following the instructions in the manual, but I've been stymied so far.  I've tried a number of methods, but this seem to be the proper one (to me anyway).

***First I ran the morb composition from 4 to 3 GPa isentropically, no problems.  I wrote a melts files for the liquid
./run_adiabat.pl -p output -f morb_ad_batch.txt -b batch_ad_batch.txt
morb_ad_batch.txt
ADIABAT_VERSION pMELTS
ADIABAT_MODE isentropic
ADIABAT_DELTAP -100
ADIABAT_MAXP 40000
ADIABAT_MINP 30000
ADIABAT_CRASH_FILE adiabat.out
ADIABAT_CELSIUS_OUTPUT true
ADIABAT_DO_TRACE true
ADIABAT_TRACE_INPUT_FILE morb_dyn.trace
ADIABAT_TRACE_DEFAULT_DPTX true

batch_ad_batch.txt
1
morb.melts
4
1
11
adiabat.out
14
morb3gpa_b.melts
0
0

morb.melts
Title: Morb w/ water removed from Adiabat_1pH
Initial Composition: SiO2 48.68
Initial Composition: TiO2 1.01
Initial Composition: Al2O3 17.64
Initial Composition: Fe2O3 0.89
Initial Composition: Cr2O3 0.03
Initial Composition: FeO 7.59
Initial Composition: MgO 9.10
Initial Composition: CaO 12.45
Initial Composition: Na2O 2.65
Initial Composition: K2O 0.03
Initial Composition: P2O5 0.08
Initial Trace: La 3.985
Initial Trace: Sm 3.752
Initial Trace: Yb 3.900
Initial Trace: Hf 2.974
Initial Trace: Nb 3.507
Initial Trace: Zr 104.24
Initial Temperature: 1500
Initial Pressure: 40000
log fo2 Path: None

***I then restarted adiabat, and moved the DMM adiabatically from 4 to 3 GPa.  I created a binary restart file for DMM at 3 GPa.
./run_adiabat.pl -p output -f dmm_ad_batch.txt -b batch_ad_batch.txt
dmm_ad_batch.txt
ADIABAT_VERSION pMELTS
ADIABAT_MODE isentropic
ADIABAT_DELTAP -100
ADIABAT_MAXP 40000
ADIABAT_MINP 30000
ADIABAT_CRASH_FILE adiabat.out
ADIABAT_CELSIUS_OUTPUT true
ADIABAT_DO_TRACE true
ADIABAT_TRACE_INPUT_FILE dmm_dyn.trace
ADIABAT_TRACE_DEFAULT_DPTX true

batch_ad_batch.txt
1
dmm.melts
4
1
11
adiabat.out
13
1
dmm3gpa_b.restart
0

Title: DMM of Workmann & Hart 2005
Initial Composition: SiO2 44.71
Initial Composition: TiO2 0.13
Initial Composition: Al2O3 3.98
Initial Composition: Fe2O3 0.191
Initial Composition: Cr2O3 0.57
Initial Composition: FeO 8.008
Initial Composition: MgO 38.73
Initial Composition: CaO 3.17
Initial Composition: Na2O 0.28
Initial Composition: P2O5 0.019
Initial Trace: La 0.192
Initial Trace: Sm 0.239
Initial Trace: Yb 0.365
Initial Trace: Hf 0.157
Initial Trace: Nb 0.1485
Initial Trace: Zr 5.082
Initial Temperature: 1500.0
Initial Pressure: 40000

***I restarted adiabat and loaded the restart file for DMM with the conditions I want to run next (3 to 2 GPa), but the problems come when after I use the source mixer.  I want to mix the MORB melts and DMM in a 50:50 proportion.
./run_adiabat.pl -p output -f hybrid_ad_batch.txt -b batch_ad_batch.txt
hybrid_ad_batch.txt
ADIABAT_VERSION pMELTS
ADIABAT_MODE isentropic
ADIABAT_DELTAP -100
ADIABAT_MAXP 30000
ADIABAT_MINP 20000
ADIABAT_CRASH_FILE adiabat.out
ADIABAT_CELSIUS_OUTPUT true
ADIABAT_DO_TRACE true
ADIABAT_TRACE_INPUT_FILE morb_dyn.trace
ADIABAT_TRACE_DEFAULT_DPTX true

batch_ad_batch.txt (this is the command sequence, though I ran it manually)
13
0
dmm3gpa_b.restart
6
1
morb3gpa_b.melts
1
0.5


***When I try to do option 3, the program returns to the command line with the following error
RUN_ADIABAT.PL ERROR: Cannot open trace_file output/trace.out

Is one of the problems that the MORB melts pooled at 3 GPa are at a lower temperature (1450 dC) than the DMM (~1475 dC)?  Do I need to remove the 'initial mass' line from the pooled morb melts file?  The output after running the source mixer is below, and seems fine because I'm adding entropy to the DMM system via the melts.
Old reference Entropy (S0): 260.343
Old total Entropy: 260.343
WARNING: Unsetting reference Entropy as bulk composition has changed in source mixer!

Additionally, both the liquid and the residue have the same melts input files, below.  I guess because there's no liquid?
Title: DMM of Workmann & Hart 2005 Residue
Initial Composition: SiO2 104.263620
Initial Composition: TiO2 0.191413
Initial Composition: Al2O3 1.755089
Initial Composition: Fe2O3 2.260496
Initial Composition: Cr2O3 0.014005
Initial Composition: FeO -10.115478
Initial Composition: MgO 1.426073
Initial Composition: CaO 0.231235
Initial Composition: Na2O -0.137061
Initial Composition: K2O 0.004340
Initial Composition: P2O5 0.106267
Initial Trace: La 0.192000
Initial Trace: Sm 0.239000
Initial Trace: Yb 0.365000
Initial Trace: Hf 0.157000
Initial Trace: Nb 0.148500
Initial Trace: Zr 5.082000
Initial Mass: 0.000000
Initial Temperature: 1472.529647
Initial Pressure: 30000.00
log fo2 Path: None
Suppress: chlorite

***Sorry this post is such a disaster.  Thank you so much for your help though!
Jacob

[Paula]

Hi Jacob,

It was a bug in the Source Mixer to do with using it after other calculations, which is what reading in a restart file is a bit like.  In its original incarnation Source Mixer was only ever used before calculations, as the program didn't have the option to do multiple runs.  We have only gradually added the ability to use Source Mixer at any time and must not have hit this particular problem previously.  So thanks for pointing it out and for providing all the files and what you typed in etc. that meant I could track it down.

Anyway I've fixed it.  I don't have my laptop with me at the moment but I'll make an Intel Mac version later and e-mail you a link to try it out.  In the meantime, you can use the following workaround that misses out the binary restart file stage.  Read in dmm.melts and use option 2 to set P to 30000 bars and T to 1472.53 ^oC.  Then use the Source Mixer as before.

For Source Mixer it doesn't matter if the temperatures are different.  It will keep the temperature of whatever the enriching agent is being mixed into i.e. DMM at 1472.53 ^oC in this example.  On execution it will calculate the entropy of the enriched source at this temperature and set the reference entropy for subsequent calculations.

More soon,
Paula

[jakemoore]

Paula,

The work around seems to work just fine as long as I immediately use the source mixer after twiddling, rather than trying to equilibrate the DMM (option 3) before I do the source mixer.  So, thanks.

One quick question though, it seems that the source mixer ignores the initial mass in the enrichment file and does the calculations based solely on the requested proportion.  Is this correct?

Jacob

[Paula]

Hi Jacob,

You're right that the workaround won't work if you try to equilibrate DMM beforehand.  I've put a test version with the fix up on the website and will e-mail you the link in a minute.

And, yes, Source Mixer puts the two compositions together in the requested proportions so it ignores the 'Initial Mass:' line in the enrichment_file... and most of the other lines except the major and trace element ones.  But you can get around this.  For example, if you wanted to add 25 grams of MORB melt to 100 grams of DMM then put 'Initial Mass: 125.0' in the DMM file (this line is not ignored in the melts_file) and ask for the proportion 0.2.

Paula