[Pw_forum] parallel version

[Axel Kohlmeyer]

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
>
>
>
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-- 
Dr. Axel Kohlmeyer  akohlmey at gmail.com  http://goo.gl/1wk0
International Centre for Theoretical Physics, Trieste. Italy.