[Q-e-developers] SIMD in quantum ESPRESSO

[Ivan Girotto]

Dear Mikhail,

QE makes intensive usage of external Math libraries: BLAS, LAPACK, FFT.
Most of the computational workload is performed by those libraries.
Codes (as well as QE) can advantage of the SIMD units available as far 
as your software stack enable so:

1) O.S. support. For instance, see at the "flags" line of the 
/proc/cpuinfo for Linux OS

2) Compile your code and external libraries with proper options (see 
compiler manual)

3) Make use of third-party pre-compiled libraries highly optimized for 
given architectures (MKL, ACML, ESSL, etc...)

Kind Regards,

Ivan

On 15/10/2013 17:43, Mikhail Ozhgibesov (Dr) wrote:
> Dear developers,
>
> Does the quantum ESPRESSO explicitly utilises advantages of SSE and/or 
> AVX technologies?
>
> Best regards,
>
>                            Mikhail
>

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