VASP on AMD Epic processors
Posted: Thu Jun 13, 2024 8:07 am
Dear Experts,
I am new to VASP and am seeking advice on which compiler to use to achieve
the best performance from the VASP code (version 6.4.3) on an HPC system
with nodes equipped with AMD Epyc Milan 7663 processors. I understand that
the choice of compiler can significantly impact performance, and I want to
optimize my setup as much as possible.
Does anyone have experience with this specific hardware and could suggest
which compilers to use?
Specifically, I am interested in:
1. The versions of compilers that you have found to be the most performant
2. Recommendations on mathematical libraries that integrate well with the
suggested compilers
3. Any specific optimization flags that have yielded good results
Any suggestions based on your experience would be greatly appreciated.
Thank you in advance for your support!
Best regards,
Francesca
I am new to VASP and am seeking advice on which compiler to use to achieve
the best performance from the VASP code (version 6.4.3) on an HPC system
with nodes equipped with AMD Epyc Milan 7663 processors. I understand that
the choice of compiler can significantly impact performance, and I want to
optimize my setup as much as possible.
Does anyone have experience with this specific hardware and could suggest
which compilers to use?
Specifically, I am interested in:
1. The versions of compilers that you have found to be the most performant
2. Recommendations on mathematical libraries that integrate well with the
suggested compilers
3. Any specific optimization flags that have yielded good results
Any suggestions based on your experience would be greatly appreciated.
Thank you in advance for your support!
Best regards,
Francesca