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Restarting with finer kf and qf grids to solve the Eliashberg equations

Posted: Thu Mar 18, 2021 1:37 pm
by eliephys78
Dear all,

How do we restart a calculation to solve the Eliashberg equations for the superconducting gap for finer kf and qf grids so that the code wouldn't start all over again from scratch? i tried setting:

elph = .true.
kmaps = .true.
epbwrite = .false.
epbread = .false.
epwwrite = .false.
epwread = .true.
ephwrite=.true.

wannierize=.false.


and changed the fine grids to higher values. The code started, but in a few seconds crashed with the message:

At line 1085 of file ephwann_shuffle.f90 (unit = 139, file = 'restart.fmt')
Fortran runtime error: End of file
--------------------------------------------------------------------------
mpirun detected that one or more processes exited with non-zero status, thus causing
the job to be terminated. The first process to do so was:

Process name: [[64497,1],0]
Exit code: 2

I tried setting restart=.true. but in vain. I apologize for asking a lot of questions in the past few days.

Regards

Re: Restarting with finer kf and qf grids to solve the Eliashberg equations

Posted: Thu Mar 18, 2021 5:09 pm
by hpaudya1
Hi eliephys78,

You have 'restart.fmt' file saved from the previous calculation. If this file exist, code reads and tries to restart considering an interrupted run. However in your case, you are increasing your meshes so this is not an interrupted run in writing 'ephmatX' files. You can delete 'restart.fmt' file and start.

Happy EPWing,
Hari Paudyal

Re: Restarting with finer kf and qf grids to solve the Eliashberg equations

Posted: Fri Mar 19, 2021 2:49 am
by eliephys78
Thanks a lot for the reply.

I will try and see what happens

Regards