[Pw_forum] BUG report about compatibility between he openmpi and QE

[Giovanni Cantele]

Hi,
i'm sorry I can't help you, I want just to mention that the bug, if any,
should concern something else than
just openmpi + QE. I compiled openmpi-1.2.5 on my cluster and then used it
to compile QE (3.2.3, 4.0 and 4.1) and everything works perfectly, even
for large jobs.

giovanni


vega wrote:
> Dear all,
> I found something strange when I use QE with openmpi to calculate the
> surface geometry of anatase 101.
> QE with openmpi could calculate very thin slabs of 1X3 101 anatase
> surface. But when I increase the thickness
> of the slab, the system has 96 atoms or more, QE with openmpi
> calculation crashed and reported that the 'Stack trace terminated
> abnormally', then process killed on some nodes. I tried times times
> again, but the job crashed again and again.
> I recompile the code again with the mpich2 again with the same
> compiler same MKL same fftw, today.
> Then I triggered the same job. The job can run smoothly with MPICH2.
> So I think openmpi may have some kind of bug.
> vega
> =================================================================================
> Vega Lew (weijia liu)
> PH.D Candidate in Chemical Engineering
> State Key Laboratory of Materials-oriented Chemical Engineering
> College of Chemistry and Chemical Engineering
> Nanjing University of Technology, 210009, Nanjing, Jiangsu, China
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>
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-- 



Dr. Giovanni Cantele
Coherentia CNR-INFM and Dipartimento di Scienze Fisiche
Universita' di Napoli "Federico II"
Complesso Universitario di Monte S. Angelo - Ed. 6
Via Cintia, I-80126, Napoli, Italy
Phone: +39 081 676910
Fax:   +39 081 676346
E-mail: giovanni.cantele at cnr.it
        giovanni.cantele at na.infn.it
Web: http://people.na.infn.it/~cantele
Research Group: http://www.nanomat.unina.it