[Pw_forum] Problem with QE 4.2.1 and AMD Opteron 6200 / 6300

[Paolo Giannozzi]

First of all: why do you want to use an old QE version? P.

On Mon, 2013-12-09 at 19:16 -0200, Fabricio Cannini wrote:
> Hi All
> 
> 
> I'm facing a very strange situation with the above version of QE, 
> compiled with :
> 
> - intel 12.1.3
> - mkl 10.0,
> - fftw 3.2.2 ( OS package )
> - openmpi 1.4.5
> 
> Running 'prace-medium' benchmark as a test .
> http://qe-forge.org/gf/project/q-e/frs/?action=FrsReleaseView&release_id=47
> 
> The OS is centos 5.6 x86-64 .
> 
> And the results were :
> 
> - Intel Xeon E5430 2.66GHz / 8 cores / 16 GB RAM = 00h:38m:21s
> 
> - Intel Core i7-2600 @ 3.40GHz / 8 cores / 16 GB = 00h:19m:40s
> 
> - AMD Opteron Processor 6276 / 8 cores / 256 GB = more than 8h ( process 
> killed )
> 
> 
> 
> Then i tried another compilation :
> 
> - pgi 12.5
> - acml 5.1.0 64
> - fftw 3.2.2 ( OS package )
> - openmpi 1.4.5
> 
> And the results were even worse . None of the machines above were able 
> to finish the test in *24h* .
> 
> 
> 
> 
> My third attempt was the following :
> 
> - intel 13.2
> - mkl 11.0
> - fftw 3.3.3 ( OS package )
> - openmpi 1.6.5
> 
> - OS = Ubuntu 12.04 LTS
> 
> - AMD Opteron 6380 / 8 cores / 64 GB RAM
> 
> - Same "prace medium benchmark" test input.
> 
> 
> Result : Also didn't finish in *24h* .
> 
> 
> 
> 
> I was suspicious of the intel compiler , so I setup a 4th test :
> 
> - gfortran 4.6 ( OS package )
> - openblas 0.2.8 ( compiled with gcc 4.6 )
> - fftw 3.3.3 ( OS package )
> - openmpi 1.4.3 ( OS package )
> 
> 
> Same machine as the third test, and the result was the same too, with a 
> difference that the binary compiled with gfortran used *much more* 
> memory , running into as much as 15GB of swap memory , before i kill the 
> process ( it took some 30 min to reach this point )
> 
> It should be noted that when running the 'small size' benchmark on the 
> Opteron 6380 machine, the gfortran/openblas binary is faster than the 
> intel 13.2/mkl binary ( up to a minute on the 3rd and 4th test ) .
> 
> 
> Do you have a clue of what could be happening ?
> 
> Should i attach the 'make.sys' files to another message or paste it 
> somewhere ?
> 
> TIA
> Fabricio
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-- 
 Paolo Giannozzi, Dept. Chemistry&Physics&Environment, 
 Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
 Phone +39-0432-558216, fax +39-0432-558222