Reply To: Chemkin user subroutine – compiling issues

[jcooper]

Hi Javier:

I believe we may have found the possible root-cause of this issue: wrong Intel MKL version (as is suggested by the error message)

[1] Both versions of Chemkin, v232 and v241 use the Intel MKL 2021.3.0

 

[2] Both versions of Chemkin, v232 and v241 use Visual Studio 2019

 

[3] The compiler used for v232 is IntelFortran update 5 2019 whereas for v241 it is the oneAPI (Intel Fortran Classic i.e. ifort)

 

[4] Unfortunately, the default (built-in) versions of MKL (i.e. what one would get when downloading the compiler) are incompatible with Chemkin needs (as mentioned in [1]).

 

[5] So, I would suggest downloading and installing Intel MKL 2021.3.0. The installation folder should have a directory structure as shown in the screen-shot below:

 

 

[6] With correct version of MKL installed, you can open the appropriate compiler command prompt (for the versions as mentioned in [3] above) and then set-up the correct MKL version.

The setting up of MKL is done by typing: Call MKL_Install_DIR\env\vars.bat intel64 vs2019

 

When set correctly, if one types the following at the command prompt: where mkl_core.1.dll  ---- it would show the install path to MKL.

 

[7] Now from this command prompt with appropriate compiler and MKL, follow building the user-routine (the static library and the application dll).

 

With [7], the user-routine would work as expected when running from the GUI.

 

[8] To run from command prompt:

(a) Open a native (non-compiler) command prompt.

(b) Set Chemkin environment by typing: ANSYS_Install_DIR\reaction\chemkinpro.win64\bin\run_chemkinpro_env_setup.bat

 

And then run the appropriate application program.

 

Please let me know if this works.

 

Best Regards,

 

Judy