Re: 64-bit Workstation Configuration Help Needed



John S wrote:
64 Bit Workstation Configuration Help Needed



In order to move to the next level of problem size, it is time to move from the present 32 bit PC/Win XP/IVF 9.1/Intel MKL 8.1/RAID 0 scratch disk (4 SATA Raptors with hardware controller) environment.



The computations involve compressed block LU matrix factorization of really large matrices (above 350,000 unknowns with block sizes on the order of 1000 to 2000). The algorithm relies heavily on level 3 BLAS CGEMM for complex matrix-matrix mults and on out of core scratch disk IO for storing the compressed LU factored blocks. This file size gets to be greater than 50 GB and must be completely read in order to factor the next block of the matrix. Fortran 90/95, with all of the array features and operator overloading, is the key to success of this algorithm



The next platform should have fast memory access, fast scratch disk read IO (read far more important than write), and should have fast level 3 cgemm blas and LAPACK routines. I have not parallelized the code yet, but that will be a next step. All of memory should be seen by each processor core (am very fuzzy on this).



Cost should be less than $10k (hopefully)



So, for a 64-bit workstation, what is the collective ng opinion for:



Processor: AMD Opteron (dual core) vs INTEL;

A motherboard with two processors, each with two cores.

MKL on an Intel Xeon 5100 series should out-perform any CGEMM for current AMD, even if you change to double precision. Your described usage may get significant benefit from quad core. Intel quad core CPUs would be plug-in replacement for Xeon 5100 or 5000 series.


Memory: 16 GB of DDR 3200 or DDR2
No Intel platform I know of will go to 16GB DDR2 on a single motherboard. With FBDIMM, this is entirely feasible. A 16-slot motherboard will keep the price somewhat under control. Certain AMD platforms lose performance beyond 8GB old style DDR. DDR2 models may do better.

Disk: Intel platforms support built-in SATA RAID controllers for Windows. I haven't seen documentation of performance for applications such as yours.


O/S: Linux or Win_64? If Linux, SUSE 64 bit vs RedHat?

RHEL4_U4 has the best scheduler at the moment, for dual socket dual or quad core (either brand). I suppose there is a CentOS equivalent. SuSE will catch up soon, no doubt. If you are prepared to use taskset or such like, it may do as well as RH. Some like the Windows approach of locking threads to cores after the job is running, or using low-level affinity calls (also available for linux). Otherwise, Windows may not match performance of linux. On Xeon 5100 "Woodcrest," with 4 threads, this may be a matter of <5%. With other numbers of threads, or on AMD (or any of the quad core processors), it would be larger.
Not trying to denigrate 64-bit Windows; it's a big step forward from XP32.


Fortran: Intel IVF 9.1



Math Kernel Library:

Intel Math Kernel Library 8.1;

or if AMD Opteron what blas/lapack library is recommended?
MKL 8.1 is not optimum for AMD, although improved over previous versions; possibly MKL may support AMD better soon.
AMD linux libraries make a point of not supporting Intel Fortran. Work-arounds (like using the gfortran version, dummying out the gfortran calls not satisfied by ifort), are at your own risk and possibly violate the terms you agree to when installing. So you may be left with ATLAS or Goto as the choices for AMD with ifort.

Usual mandatory disclaimer: I don't speak for my employer, go check the web sites etc.
.



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