[Pw_forum] parallel version

[ehsan targholi]

Dear Kohlmeyer
thanks for your reply. i compile espresso 5.0.2 again and remove all
library of openmpi & mpich2 . then run mpirun -np 8 and
 give this massage :
The program 'mpirun' can be found in the following packages:
 * lam-runtime
 * mpich-bin
 * mpich-mpd-bin
 * mpich-shmem-bin
 * mpich2
 * openmpi-bin
Try: apt-get install <selected package>
 i install only mpich2 but give again this error :

  from test_input_xml: Empty input file .. stopping
  from test_input_xml: Empty input file .. stopping
  from test_input_xml: Empty input file .. stopping
  from test_input_xml: Empty input file .. stopping

i remove mpich2 and install openmpi-bin but give again above error.
what i can do?


On Sun, Dec 8, 2013 at 11:22 PM, Axel Kohlmeyer <akohlmey at gmail.com> wrote:

> On Sun, Dec 8, 2013 at 8:34 PM, ehsan targholi <targholi at gmail.com> wrote:
> > hi
> > Dear all
> > i have problem with run quantum espresso in parallel state. i install
> both
> > openmpi and mpich2. quantum espresso work correctly without parallel.
> (pw.x)
>
> what is the purpose of installing two MPI libraries? it only increases
> the chances of something going wrong. better pick one.
>
> > but when i insert  ' mpirun -np 8 pw.x' dose not work correctly and give
> > this error in terminal:
> >
> >  from test_input_xml: Empty input file .. stopping
> >  from test_input_xml: Empty input file .. stopping
> >  from test_input_xml: Empty input file .. stopping
> >  from test_input_xml: Empty input file .. stopping
> >  from test_input_xml: Empty input file .. stopping
> >  from test_input_xml: Empty input file .. stopping
> >  from test_input_xml: Empty input file .. stopping
> >  from test_input_xml: Empty input file .. stopping
> >
> > and 7 core of 8 core of cpu killing job and pw.x work with only one core
> to
> > end, sometime with same input give this error in terminal:
> >
> >  from test_input_xml: Empty input file .. stopping
> >  from test_input_xml: Empty input file .. stopping
> >  from test_input_xml: Empty input file .. stopping
> >  from test_input_xml: Empty input file .. stopping
> >
> > and work pw.x with 4 core of cpu.
> > pleas help me to install and run quantum espresso in parallel state.
>
> my guess would be you use the mpirun of one MPI library package with
> an executable compiled against the other, so it cannot forward you
> input, or you are making some even more fundamental error.
>
> the best thing to do would be to first compile and run some simple MPI
> test/demo programs so you get familiar with how to properly compile
> and run parallel programs. only after you are comfortable with it, you
> should move on to compiling/running pw.x
>
> axel.
>
>
> >
> > best regard
> > Ehsan Targholi
> > graduate student of chemistry department of iust
> >
> >
> >
> > _______________________________________________
> > Pw_forum mailing list
> > Pw_forum at pwscf.org
> > http://pwscf.org/mailman/listinfo/pw_forum
>
>
>
> --
> Dr. Axel Kohlmeyer  akohlmey at gmail.com  http://goo.gl/1wk0
> International Centre for Theoretical Physics, Trieste. Italy.
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>
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