What is your manual compilation process? Can those steps be put into a command-line script?

Peter Raeth Thanks for the reply. I am following the protocols mentioned in ANSYS fluent manual. Not sure about ways of putting those steps in command-line script as standard method is mentioned in the manual is different.

Thanks

1. Select a compiler: Depending on the specific requirements of your application, you may need to use a particular compiler. Common choices for scientific computing on Linux HPC systems include GNU Compiler Collection (GCC), Intel C++ Compiler, and LLVM/Clang.

2. Load compiler modules: The HPC facility may have multiple versions of the same compiler installed, or may have multiple compilers available. You can load the appropriate compiler module by using the `module load` command, which is typically provided on HPC systems. For example, to load GCC version 9.3.0, you can use the command `module load gcc/9.3.0`.

3. Set environment variables: Once the compiler module is loaded, you may need to set environment variables such as `CC`, `CXX`, and `FC` to point to the appropriate compiler executables. For example, if you loaded the GCC module as above, you can set the `CC` variable to `gcc`, the `CXX` variable to `g++`, and the `FC` variable to `gfortran`.

4. Install any required libraries: Depending on the libraries required by your application, you may need to install them on the HPC system. Some HPC facilities provide a module system for managing libraries, similar to the compiler modules mentioned above. Alternatively, you may need to compile and install the libraries yourself.

5. Compile your application: Once the environment is set up, you can compile your application using the appropriate compiler and any required libraries. Be sure to specify any necessary compiler flags and linker options.

6. Test your application: Finally, you should test your compiled application on the HPC system to ensure it works as expected.

Thes steps may vary depending on the specific HPC facility and the requirements of your application. For additional help consult the documentation or support resources provided by the HPC.

Hope it helps!!

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To set up the compilation environment in HPC facility which works on Linux architecture, you can use environment modules to dynamically load software packages into your environment using a command line tool called module.