The whole process refers to intel compiler siesta-4.2-trunk of cndaqiang, and the memo is recorded here. I would like to pay my highest respects here, Daqiang yyds.

First of all, it is the same as other versions.

Then copy intel.make and make some changes. Here we take intelmpi version 20 19 as an example. You can find the location of its math library, which mpiifort to load it through, and then find the mkl folder.

Add in arch.make

then

That's it.

Just copy and paste the above three lines into the arch.make file according to his instructions.

This is a problem with the gcc version. You can try a higher version of gcc.