[Pw_forum] Can't run any example in QE v4.0.4

[Giovanni Cantele]

Abdulrafiu RAJI wrote:
> Dear users,
>
> I have just downloaded QE v4.0.4. After successful compilation on my AMD dual- processor, I tried to run some examples in the code. But each time I do this, the following error messages are reported, and this is case of may examples that I have tried :
>
> running cp.x as: mpirun -np 2 /home/araji/Codes/espresso-4.0.5/bin/cp.x
>
> cleaning /home/araji/tmp... done
> running the calculation with fixed ions..../run_example: line 131: mpirun: command not found
>
> How do I handle this? I should mention that I have been able to run the examples on earlier versions, v.4.0.3, e.t.c, without any hitch.
>
> Thanks for your attention.
>
> Abdulrafiu Tunde Raji. Physics Department. University of Cape Town. South Africa.
>
>
> Raji Abdulrafiu Tunde,
> Department of Physics,
> University of Cape Town (RW James Bld.),Private Bag X3,
> Rondebosch 7701,
> Cape Town. South Africa.
The error message tells you that you are trying to run "mpirun 
SOME_COMMAND" but the mpirun command is not
found.

the run_example script you find in the different example directories, 
takes the value of some environment variables from
examples/environment_variables . You may see this from the lines (of 
run_example):

# set the needed environment variables
. ../environment_variables

This is done with the aim of changing the environment_variables file 
once, to fit your system configuration, and then be
able to run all the examples without changing the run_example files one 
by one!

If you open the environment_variables you find:

# To run the ESPRESSO programs on a parallel machine, you may have to
# add the appropriate commands (poe, mpirun, mpprun...) and/or options
# (specifying number of processors, pools...) before and after the
# executable's name. 
...............
# To run on a single processor, you can usually leave them empty.

PARA_PREFIX="mpirun -np 2"
PARA_POSTFIX=



As explained, if your machine does not support a parallel environment 
(either because it is a single core computer or because
the parallel environment was improperly installed or not detected by 
configure) you should leave both the
PARA_PREFIX and PARA_POSTFIX variables empty.

Giovanni

-- 



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