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 > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum
-- Paolo Giannozzi, Dept. Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222