EPW Forum

Hi, I am trying to run an anisotropic calculation on MgB2 1x1x2 supercell. The unit cell calculation runs fine but the 1x1x2 supercell calculation gives the following error: Program received signal SIGSEGV: Segmentation fault - invalid memory reference. Backtrace for this error: #0 0x7ff8e9680dbf in...

Dear H. Lee,

Thank you for your reply! Yes I am also running this at NERSC Cori on the Haswell system partition. I was wondering if you knew what the source of the problem is and possible solutions?

Hi, My EPW calculation keeps getting stuck at the following step until the walltime limit. I believe the calculation is getting stuck in this step and not just terminating because of time limit as the walltime I set was 40 hours and that I am expecting the calculation to be done in 1-2 hours. epw.ou...

I am trying to restart a calculation and am getting the following error message in the epw.out file: Reading input from epw.in %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine epw_readin (1): Bad line in namelist &inputepw': " kmaps = .true." (error cou...

.WIN file
.WOUT file

EPW.OUT

EPW.IN files

Hi, Whenever I try running my calculation, it gets stuck with the following error message until timeout in the cluster Wannierization on 6 x 6 x 6 electronic grid ------------------------------------------------------------------- Spin CASE ( default = unpolarized ) Initializing Wannier90 Error: dis...