Dear Giovanni,
Thank you for your reply, I am checking my environment and config.log file!
Best wishes!
2014-04-04
yjunwei2012
????Giovanni Cantele <giovanni.cantele at spin.cnr.it>
?????2014-04-03 23:37
???Re: [Pw_forum] QE v.5.0.2: the openmpi parallel problem
????"PWSCF Forum"<pw_forum at pwscf.org>
???
On 03 Apr 2014, at 17:01, yjunwei2012 <yjunwei2012 at 163.com> wrote:
Dear all user:
When I run a example (ecut.40.in) with openmpi,the run command in terminal
as this: mpirun -np 8 pw.x <ecut.40.in> ecuttest.40.out. To my surprise, in the
output file, the same information show 8 times, though the cpu is 100%.
I do not know whether the QE5.0.2 have a parallel version, if no, how can I
make my QE5.0.2 run parallel jobs? I have installed
gcc4.4.7,gcc-c++,gcc-gfortran ,openmpi-1.6.5 and QE5.0.2 on the centos6.5.
Thank you very much!
JWY
2014-04-03
yjunwei2012
<ecut.40.in><ecuttest.40.out>_______________________________________________
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Of course, QE ANY.VERSION does run in parallel. However, it seems that the
compilation of the parallel executable did fail
in your case. Indeed, you can read in your output ?Serial version?. That could
explain the strange 8-times-replicated output,
due to the fact that you run 8 tasks of the SAME serial executable, rather than
split a parallel executable into 8 tasks!!
You should first verify your installation, e.g. if a parallel environment was
detected. At this purpose, check
espresso-5.0.2/install/config.log
Giovanni
--
Giovanni Cantele, PhD
CNR-SPIN
c/o Dipartimento di Fisica
Universita' di Napoli "Federico II"
Complesso Universitario M. S. Angelo - Ed. 6
Via Cintia, I-80126, Napoli, Italy
e-mail: giovanni.cantele at spin.cnr.it
Phone: +39 081 676910
Skype contact: giocan74
ResearcherID: http://www.researcherid.com/rid/A-1951-2009
Web page: http://people.na.infn.it/~cantele
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