[Pw_forum] QE in Parallel error

[Paolo Giannozzi]

On Tue, Jun 21, 2016 at 10:42 AM, Mohammad Raihan Miah
<mraihanm at eng.ucsd.edu> wrote:

> Do you think that I need to change the configure file of Quantum Espresso?

No: see point 4.5 of the FAQ,
http://www.quantum-espresso.org/faq/parallel-execution/#4.5 and sec.
2.7.7 of the user guide:
http://www.quantum-espresso.org/wp-content/uploads/Doc/user_guide/node14.html#SECTION00037700000000000000

> But in my case it is installed by the system administrator and they said
> that they installed Quantum Espresso with mpirun and I couldn't find the
> configure file to change the Flags. So do you think that changing the
> environment variable will do the trick for me?

changing the system administrator will do the trick for you. If you
cannot, you may consider compiling (in parallel) your own copy of QE

Paolo
-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222