[Pw_forum] can not install parallel run of QE

[Rolly Ng]

Hi Tao,


Your problem seems rather related to the operation system.


Are you using Linux or Windows?


If you are using Linux and Intel CPUs then you need to install the Intel 
MPI library and make sure that you load the MPI environmental variable 
before you run pw.x. Please baidu it.


If the MPI library is loaded, run it as "mpirun -np 8 ./pw.x <input> 
out" to use all the cores.


Rolly


On 09/13/2016 05:20 AM, Yu, Tao wrote:
>
> What of parallel environment is required? like MPI, or something else?
>
>
> I just want to make sure with that, only serial QE can run. Can we 
> still run QE with 8 cores, not crossing nodes? Or that means I can 
> only run QE with 1 core.
>
>
> Tao
>
> ------------------------------------------------------------------------
> *From:* pw_forum-bounces at pwscf.org <pw_forum-bounces at pwscf.org> on 
> behalf of Paolo Giannozzi <p.giannozzi at gmail.com>
> *Sent:* Monday, September 12, 2016 2:52:36 PM
> *To:* PWSCF Forum
> *Subject:* Re: [Pw_forum] can not install parallel run of QE
> It is explained in some detail in the user guide: "configure" did not 
> detect your parallel environment, for one out 1001 possible reasons
>
> Paolo
>
> On Mon, Sep 12, 2016 at 9:49 PM, Yu, Tao <tyu at tntech.edu 
> <mailto:tyu at tntech.edu>> wrote:
>
>     Hi,
>
>
>     During the installation process, after running ./configure, it
>     returned a piece of information,
>
>
>     Parallel environment not detected \(is this a parallel machine?\).\
>     Configured for compilation of serial executables.
>
>
>     What happened there? Does this mean I can only run with 1CPU? How
>     to fix that?
>
>
>     Many thanks,
>
>
>     Tao
>
>
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>
>
>
>
> -- 
> 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
>
>
>
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-- 
PhD. Research Fellow,
Dept. of Physics & Materials Science,
City University of Hong Kong
Tel: +852 3442 4000
Fax: +852 3442 0538

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