using ifx instead of ifort

[samar_fawzy]

Can i compile vasp 5.4.4 using ifx instead of ifort as it is no longer
supported in Intel's new hpc kit or standalone compiler? I tried but received several errors.

[andreas.singraber]

Hello!

I gave it a try and was able to compile VASP.5.4.4.pl2 with the Intel oneAPI 2025.2.0 compilers. I used the file arch/makefile.include.linux_intel as a basis for my makefile.include and modified it in the following way:

Code: Select all

Lines 14, 15   :    mpiifort          --->   mpiifx
Line 15        :    -mkl=sequential   --->   -qmkl=sequential
Line 43        :    icc               --->   icx
Line 51        :    icpc              --->   icpx -Wno-register

I was also able to run a quick test calculation. Maybe you can try this as well... if you encounter errors, please post them here. However, please note that I can only offer you limited support for this particular combination of old VASP version and new compilers.

All the best,
Andreas Singraber