EPW Forum

Hello
I am using epw to get access to the electron-phonon coupling strengths, |g|. I can have |g| for nkf1=nkf2=nkf3 =64 or 120. But for denser grids like 160 or 168 I am getting this error::


Number of ep-matrix elements per pool : 455196672 ~= ******* Kb (@ 8 bytes/ DP)

A selecq.fmt file was found but re-created because selecqread == .FALSE.
We only need to compute 1 q-points


%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine ephwann_shuffle (1):
Error allocating epf17
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

stopping ...
--------------------------------------------------------------------------
MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLDny h
with errorcode 1.

NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
You may or may not see output from other processes, depending on
exactly when Open MPI kills them.
--------------------------------------------------------------------------


I suppose that there is nothing wrong in my input file as I can have |g| for a grid 64x64x64 for example.
Any help is welcome!

Thanks a lot
Amir Talebi

Dear Amir Talebi:

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine ephwann_shuffle (1):
Error allocating epf17
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

This just means that memory is not enough for the allocation of epf17.
You can try to use more number of cores.

Sincerely,

H. Lee