[Pw_forum] PB with electron-phonon coupling in parallel program

[jeremie]

Dear all

 

I am running the parallel version of PWscf 3.1.1 for electron phonon
calculation on a Linux cluster. This calculation based on the example 7 runs
perfectly in the serial mode (or with parallel executable but on one node)
but I have a problem when I run the calculation on more than one node. The
first q point works fine but for the following I get the error message when
calculating the EP coupling:

 

**************************************************************************

     omega( 1) =       0.389370 [THz] =      12.988061 [cm-1]

     omega( 2) =       0.389370 [THz] =      12.988061 [cm-1]

 
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%%

     from elphsum : error #         1

     pools and a2F not implemented

 
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%%

 

     stopping ...

     omega( 3) =       0.389370 [THz] =      12.988061 [cm-1]

     omega( 4) =       2.653368 [THz] =      88.507417 [cm-1]

     omega( 5) =       2.653368 [THz] =      88.507417 [cm-1]

     omega( 6) =       2.653368 [THz] =      88.507417 [cm-1]

 

     omega( 7) =      16.187836 [THz] =     539.971685 [cm-1]

 
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%%

     from elphsum : error #         1

     pools and a2F not implemented

 
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%%

 

     stopping ...

     omega( 8) =      16.187836 [THz] =     539.971685 [cm-1]

     omega( 9) =      16.187836 [THz] =     539.971685 [cm-1]

 

     omega(10) =      16.688065 [THz] =     556.657634 [cm-1]

 

 
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%%

     from elphsum : error #         1

     pools and a2F not implemented

 
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%%

 

     stopping ...

     omega(11) =      16.688065 [THz] =     556.657634 [cm-1]

 
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%%

     from elphsum : error #         1

     pools and a2F not implemented

 
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%%

 

     stopping ...

     omega(12) =      16.688065 [THz] =     556.657634 [cm-1]

     omega(13) =      24.175463 [THz] =     806.411998 [cm-1]

     omega(14) =      24.175463 [THz] =     806.411998 [cm-1]

     omega(15) =      24.175463 [THz] =     806.411998 [cm-1]

 

     omega(16) =      28.151777 [THz] =     939.048456 [cm-1]

     omega(17) =      28.151777 [THz] =     939.048456 [cm-1]

 
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%%

     from elphsum : error #         1

     pools and a2F not implemented

 
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%%

 

     stopping ...

     omega(18) =      28.151777 [THz] =     939.048456 [cm-1]

     omega(19) =      32.608332 [THz] =    1087.704105 [cm-1]

     omega(20) =      32.608332 [THz] =    1087.704105 [cm-1]

     omega(21) =      38.921190 [THz] =    1298.279771 [cm-1]

 **************************************************************************

     electron-phonon interaction  ...

 

 

 
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%%

     from elphsum : error #         1

     pools and a2F not implemented

 
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%%

 

     stopping ...

 

 
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%%

     from elphsum : error #         1

     pools and a2F not implemented

 
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%%

 

     stopping ...

 

 
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%%

     from elphsum : error #         1

     pools and a2F not implemented

 
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%%

 

     stopping ...

 

Has anybody an idea?

 

Jeremie Teyssier

DPMC

24 quai Ernest Ensermet

CH-1211 Geneve 4

SUISSE

tel: (41) 22 379 65 78

fax: (41) 22 379 68 69

web:  <http://optics.unige.ch/jeremie/home_jeremie.html>
http://optics.unige.ch/jeremie/home_jeremie.html

 

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20061116/dd59956a/attachment.html>