[gmx-users] Performance in ia64 and x86_64

Ignacio Fernández Galván jellby at yahoo.com
Fri Feb 25 13:44:19 CET 2011


Carsten Kutzner wrote:


> With Fortran kernels I got a performance of 0.31 ns/day for an 80,000 atom 
>system
> (with PME) on an Altix 4700, so your 0.5 ns/day for 1,500 waters seems too slow 
>to me.
> What processor is this? Are you shure you are using the Fortran and not the C 
>kernels?


I don't have physical access to the ia64, and I don't know the details, but 
/proc/cpuinfo says:

model name : Dual-Core Intel(R) Itanium(R) Processor 9140N
cpu MHz    : 1598.000000


And as for the kernels in the log:

Configuring nonbonded kernels...
Configuring standard C nonbonded kernels...
Configuring single precision Fortran kernels...



Whereas for the x86_64 it's:

model name      : Intel(R) Xeon(R) CPU           E5540  @ 2.53GHz
cpu MHz         : 1600.000

Configuring nonbonded kernels...
Configuring standard C nonbonded kernels...
Testing x86_64 SSE2 support... present.



      



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