[Q-e-developers] [Q-e-commits] r11314 - trunk/espresso/Modules

[Filippo Spiga]

On Jan 16, 2015, at 4:25 PM, Paolo Giannozzi <paolo.giannozzi at uniud.it> wrote:
> the one that runs of my PC (just updated to debian 7.8, I am
> a proud troglodyte :-) ):
> $mpirun -help
> mpirun (Open MPI) 1.4.5

You should try at least the latest stable (1.8.x). 1.4 is basically two generations ago ....


>> IMHO, if anyone has a deployment of a MPI library (...) that it is older 
>> than two or three years then it is better to upgrade it (and it is not
>> rocket science). MPI_THREAD_FUNNELED is the minimum acceptable level of 
>> MPI thread-safety to moving toward a MPI+OpenMP world. We should aim to 
>> MPI_THREAD_MULTIPLE in the future (despite not all MPI libraries are already 
>> ready for this)
> 
> Since I cannot test it, and since nobody in big HPC centers has
> complained, I have assumed that there is no hurry to change the way 
> MPI+OpenMP is initialized (so I can wait until I upgrade my OS). 
> If however such a change is deemed necessary, please go ahead.

Everything works smooth now because we have mostly MPI-1 type of routine. But if we start to play with proper communication/computation overlapping then we need some thread safety (MPI_THREAD_SINGLE is not thread safe)


> Weakly related topics: "configure" still takes into account the case of
> Intel 9 (!) fortran (I have Intel 12). There are however an "old" and a
> "new" configure right now. Shouldn't we move to the "new"?

BuildBot will help to finish testing the new one (because try stuff by hand is... painful!), I am confident it works. There are people keen to beta-test it so I am sure things can speed-up. I do not have access to CRAY, that part is missing. In term of compilers' coverage, yes it still check against archaic compilers and I think it is possible to clean it up a bit more. I miss the deadline of 5.1.1 release s,o if you tell me a potential date for 5.2, I will work toward that date :-)

F

--
Mr. Filippo SPIGA, M.Sc.
http://filippospiga.info ~ skype: filippo.spiga

«Nobody will drive us out of Cantor's paradise.» ~ David Hilbert

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