[Pw_forum] question about electron phonon calculation

Xiang-Feng Zhou zxf888 at 163.com
Sat Mar 7 05:25:51 CET 2009


When I am running the parallel version of espresso-4.0.4 for electron phonon calculation on a Linux cluster, I get the error message after finishing the Gamma point calculation. task #??????? 13from elphsum : error #???????? 1pools and a2F not implementedI noticed that Paolo said “electron-phonon (EP) calculations do not work together with k-point parallelization”. Does it mean this error message has nothing to do with the version of quantum-espresso? Or whether there is a method which can improve the efficiency of EP calculation? ?I run the order as follows: nohup mpirun –np 16 –machinefile node ~/proc/espresso-4.0.4/bin/ph.x –npool 16 <test.elph.in> test.elph.out & Thanks in advance,

===============================================

Xiang-Feng ZHOU 

Ph.D candidate

 Physics Dept. of Nanjing University 

 National Lab. of Solid State Microstructures 

 China 

 ===============================================
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090307/9ac7257a/attachment.htm 


More information about the Pw_forum mailing list