using ifx instead of ifort
Posted: Mon Jun 30, 2025 6:52 am
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.
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.
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