[Pw_forum] worth recompiling ?
Carlo Nervi
carlo.nervi at unito.it
Wed Oct 7 15:02:30 CEST 2009
Hello,
when i was able to compile everything and all was working, I recompiled
with intel 11.0 and especially with MKL 10 libraries.
There is a switch in intel 11 compiler (-xHost) that choose the best
code for the CPU you have. This switch improved (at least for me) the
speed. From my point of view I would give to it a try.
However, there others in this forum that could properly answer (as you
have probably read, now I'm in still trouble and cannot compile anymore
QE...)
Carlo
Boris Skegin ha scritto:
> Hallo.
>
> I managed to compile espresso-4.1 on our Linux PC cluster using
> intel/9.1
> mkl/9.1
> vltmpi/mvapich_0.9.4
>
> as it is said in
> http://www.pwscf.org/user_guide/node13.html#SECTION00036600000000000000 :
>
> "The latest (July 2006) 32-bit version of ifort 9.1 works flawlessy."
>
> And espresso-4.1 does work in the parallel version on our cluster, at
> least, if checked with simple examples.
>
>
> Besides intel/9.1 and mkl/9.1 we have also
>
> intel/11.0
> intel/10.0
> intel/10.1
>
> mkl/10.0
> mkl/10.1
> mkl/9.1
>
> As I have some free time now, I'd like to ask you if it is worth to
> recompile, say, with intel/11.0 and mkl/10.0 in order to achieve even
> better performance for complicated jobs?
>
> Regards,
> Boris Skegin
>
>
>
>
--
------------------------------------------------------
Carlo Nervi carlo.nervi at unito.it Tel:+39 011 6707507/8
Fax: +39 011 6707855 - Dipartimento di Chimica IFM
via P. Giuria 7, 10125 Torino, Italy
http://lem.ch.unito.it/
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