"Force automatic start values, GZTRBO error" when simulating FCC_L12 composition set

[stephane44]

I generated the GES file on Windows. I used the commands contained in the macro file I'm sending you through PM.

I actually forgot to include the mobility data in the previous database as I was trying things out to generate composition sets from an equilibrium calculation and include them in the GES file. I re-generated the GES file with the mobility data (also attached in PM), with the commands shown in the macro file.

In any case I get the same error. We are using TCNI11 and MOBNI5, i.e. the latest versions. TC calculations seem to work fine.

Thank you for investigating the matter

[Bernd]

Dear Stéphane,

Meanwhile I found that there is really an incompatibility, but it has nothing to do with the mobility data, and also not with the Thermo-Calc version which is used for creating the .GES5 file. Instead, it seems to be a problem of the newest version 11 of the NI-database from Thermo-Calc, which seemingly uses new data structures or functions which are not supported by older TQ-versions. Essentially, for using TCNI11, the TQ-library must be 2020b or newer, which is the case for MICRESS version 7.1 but unfortunately not for 7.0. The crash happens when calling the tqsdmc subroutine for FCC_L12#1 which sets the default major constituents.

Do you have access to an older database version of TCNI, e.g. TCNI10? This would solve the problem...

Bernd

[CharMIC]

Soon we will also have this problem since we are upgrading our databases to TCNI12. Also, would it be helpful, if we change the preferred Gibbs energy system to version 5 in the Thermo-Calc settings?

Chamara

[Bernd]

Hi Chamara,

I think the default of the Gibbs energy system already is at version 5, so this probably won't help. However, as I told Stéphane, the normal solution would be to stay with TCNI10, or to switch to MICRESS version 7.1. Up to now, I did not find any workaround...

Bernd

[stephane44]

Hello Bernd,

So our only two options at this point are to use an older version of the Ni database or to upgrade to Micress 7.1.

We only have access to TCNI11, I don't know if TC would give us access to TCNI10 with our licence. Also older Ni databases might not be compatible with TC2022a with those new functionalities (I think we had to update to get this database running) so we would perhaps need to run an older TC version using a modified licence. Not the most practical solution but if it comes to that...

I will contact ThermoCalc. Could you send me by email a quote or an estimate for an upgrade from Micress 7.0 to 7.1 ?

Thanks

Stéphane

[Bernd]

Hi Stéphane,

I tried to use TCNI10 with tc2022a, and use the generated .GES5-file with MICRESS 7.0, there was no problem! What I am not sure is whether TCNI10 (if you install it yourself) would work directly with your current Thermo-Calc licence, or whether you would need to ask them for a modification.

I will ask my colleagues for sending you a quote for upgrading to Version 7.1.

Bernd

[stephane44]

Ok thank you Bernd.

We might have to modify the TC licence as we've had issues related to this. I will keep you posted.

Best,

Stéphane

[CharMIC]

The default of the Gibbs energy system already is at version 6, not 5. I manually had to change this in TC before generating GES files.

[Bernd]

Hi Chamara,

That is interesting! Which Thermo-Calc version was it where you had that? What happened if you did not change to version 5 manually?

Bernd

[ralph]

As far as I know, there is no GES6 file format, yet.
I.e. when you save your system in version 6, it will be converted to version 5, automatically. Has that changed?
There might be features of version 6 which cannot be converted.

Best,
Ralph