[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                                      
> 
>                  
> 
> 


-- 
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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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