The ABINIT Users Mailing List ( CLOSED )

[fdsa fda <yelinhui1@yahoo.com>]

Dear Mike,

Thank you for your suggestion!

Linhui

--- "Haverty, Michael G" <michael.g.haverty@intel.com>
wrote:
> Hello Linhui and all,
>       Some of the compiler optimization options that you
> are using are
> for the pgf90 compiler.  To use the Intel Fortran
> Compiler's processor
> specific optimizations for Intel Pentium III's you
> need to use the flags
> "-tpp6 -axK" to replace the "-tp p6" in your FFLAGS
> line.  For Intel
> Pentium 4's the flags would be "-tpp7 -axW"
>                               Mike
> 
> 
> -----Original Message-----
> From: fdsa fda [mailto:yelinhui1@yahoo.com] 
> Sent: Monday, December 30, 2002 8:15 PM
> To: forum@abinit.org
> Subject: [abinit-forum] performance optimization on
> Linux cluster
> 
> Dear Gonze, dear all,
> 
> I'm compiling abinit on a PIII Linux cluster
> connected
> by 100Mbit Ethernet. The binaries are produced with
> little trouble. After some trivial tests I start a
> real complex job, which contains 40 atoms in the
> unit
> cell. I found the performance is not much satisfied.
> 
> 
> Now I'm considering recompilation by more
> optimization.
> 
> I use Intel Fortran Compiler(ifc, unfortunately it
> has
> the same name as the ifc utility of abinit, which
> causes me a little trouble), and MKL math library
> with
> it.
> 
> For all source files I use compiler options
> 
> FFLAGS="-O3 -w -mp -tp p6 -unroll 3"
> 
> For linking I substitute the appended blas and
> lapack
> with MKL:
> 
> LIBS=-L/usr/local/lib -lguide -lmkl_def -lmkl_lapack
> -lmkl_p3
> 
> OK. The binary(abinip) is smoothly generated.
> 
> I'm still testing the new binary. To my expectation
> it
> should be faster than the default one. But, does
> anyone know whether there are still other measures
> to
> gain more optimization in compilatioin?
> 
> Another problem, how to gain maximum parallel
> efficience during job run? Suppose I use 8 special
> k-points in Brillouin zone integration, is it
> meaningful to use more than 8 nodes in parallel job?
> 
> Regards,
> 
> 
> 
> Linhui
> 
> 
> 
> 
> 
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