[Pw_forum] ??? what's the meaning of error in compiler of sun solaris 9.0

[针叶 朱]

Dear users:
  Thank you give some suggestions about compilation in solaris 9.0.
 The condition of my machine is as following : Sun fire 4800 and solaris 
 sparc.I have install Sunstudio 12 in my machine. making ./configure
 is well done. When make pw, the errors appears.
ld: fatal: Symbol referencing errors. No output written to pw.x
*** Error code 1
make: Fatal error: Command failed for target `pw.x'
Current working directory /zzy/espresso-4.0/PW
*** Error code 1
make: Fatal error: Command failed for target `pw'
Please tell me how to deal with it?
   
  Regards 
   
  zhuzhenye

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Today's Topics:

1. Re: ??? what's the meaning of error in compiler of sun
(Paolo Giannozzi)
2. Re: modification of phonon programs (Paolo Giannozzi)
3. Re: electron phonon coupling / cannot remap grid on k-point
list error (Paolo Giannozzi)


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Message: 1
Date: Tue, 20 May 2008 14:27:36 +0200
From: Paolo Giannozzi 
Subject: Re: [Pw_forum] ??? what's the meaning of error in compiler of
sun
To: PWSCF Forum 

Message-ID: <4832C3B8.6060701 at democritos.it>
Content-Type: text/plain; charset=GB2312

?? ? wrote:

> Thank you give some suggestions about compilation in solaris 9.0. The 
> condition of my machine is as following : Sun fire 4800 and solaris 
> sparc.I have install Sunstudio 12 in my machine. making ./configure is 
> well done. When make pw, the errors appears.

which errors?
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy


------------------------------

Message: 2
Date: Tue, 20 May 2008 15:24:08 +0200
From: Paolo Giannozzi 
Subject: Re: [Pw_forum] modification of phonon programs
To: PWSCF Forum 

Message-ID: <4832D0F8.6030406 at democritos.it>
Content-Type: text/plain; charset=ISO-8859-1; format=flowed

Eyvaz Isaev wrote:

> I introduced some changes to phonon programs so that
> now one can specify iq_start and iq_end keywords in
> ph.in file to calculate phonons for a given set of
> q-points from dyn0-file. 
> 
> If this sounds interesting I can send these modified files.

it is interesting, but it is just part of the story.

The phonon code presently uses only pools of processors,
for k-point and plane-wave parallelization. There are
however two more possible "cheap" parallelizations:
over irreps, and over q-vectors. Both involve loosely
coupled calculations that can be performed almost
independently and thus are ideally suited for a "Grid
computing" environment. Rather than via MPI calls,
parallelization could be achieved by a script
distributing the various calculations across many jobs,
collecting the results again with a script or with an
auxiliary code reading the outputd data file. This will
require some changes to both the input data and the data
files, but nothing dramatic.

There are already two methods to supply a single q-point:
the one described by Kostantin Kudin, and directly as
qx, qy, qz. Both may require in the future to be modified,
in order to better fit into the above picture.

Paolo
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy


------------------------------

Message: 3
Date: Tue, 20 May 2008 15:28:32 +0200
From: Paolo Giannozzi 
Subject: Re: [Pw_forum] electron phonon coupling / cannot remap grid
on k-point list error
To: PWSCF Forum 

Message-ID: <4832D200.7070109 at democritos.it>
Content-Type: text/plain; charset=ISO-8859-1; format=flowed

hamad mohamed wrote:

> error message
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> cannot remap grid on k-point list
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> 
> is a peering by performing the electron phonon coupling for a 
> tetragonal body center unit cell, where the meshes are:
> 
> dense 24 24 24 0 0 0 
> rare 2 2 2 0 0 0
> phonon 2 2 1 
> 
> where all the division of nk and nq that correspond to dense/rare , 
> dense/phonon and rare/phonon are integer.

was it too much work to provide a test job?
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy


------------------------------

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