[QE-users] DFPT getting stuck

[M.J. Hutcheon]

Dear QE users/developers, 

I am running an electron-phonon coupling calculation at the gamma point
for a large unit cell Calcium-Hydride (Output file attached). The
calculation appears to get stuck during the DFPT stage. It does not
crash, or produce any error files/output of any sort, or run out of
walltime, but the calculation does not progress either. I have tried
different parameter sets (k-point grids + cutoffs), which changes the
representation where the calculation gets stuck, but it still gets
stuck. I don't really know what to try next, short of compiling QE in
debug mode and running under a debugger to see where it gets stuck. Any
ideas before I head down this laborious route? 

Many thanks, 

Michael Hutcheon 

TCM group, University of Cambridge
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20200512/05206bda/attachment.html>
-------------- next part --------------
An embedded and charset-unspecified text was scrubbed...
Name: elph.out
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20200512/05206bda/attachment.ksh>