[Pw_forum] PB with electron-phonon coupling in parallel program
jeremie
Jeremie.Teyssier at physics.unige.ch
Thu Nov 16 21:35:44 CET 2006
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
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