The ABINIT Users Mailing List ( CLOSED )

[Xin Liu <dut_liuxin@yahoo.com.cn>]

Hi!

I think you should try GIGAbit network! together will
P4 processors.

Xin, Liu

 --- fdsa fda <yelinhui1@yahoo.com> 的正文：> 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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