Dear QE users,
This email is to announce the "Wannier 2022 Summer School" to be held at ICTP
(Trieste, Italy) from 16 to 20 May 2022.
This 5-day school is designed to allow participants to join both in-person and
online, and consists of lectures and hands-on sessions on a wide range of
electro
Dear Roy,
From my experience, you should try...
1. Add "-ndiag 1" to your command line. e.g. mpirun neb.x -ndiag 1 -i INP > OUT
It usually works, but if 1 didn't work,
2. Use diagonalization = 'cg' in &ELECTRONS section of your input. It
is much slower than the default, but is more robust.
---Sen
On Mon, Jan 31, 2022 at 2:32 AM sourav das wrote:
>
>
> Detected 1 oom-kill event(s) in step 32238824.0 c group.
>
It is a message from the operating system, not from QE. It says that your
process has exceeded the available memory. Your system is small so unless
you are running QE on a coffee ma
I apology for my ignorance ...
I was using a Windows search based on following sequence:
findstr /S /M "$OMP" *.*
witch probably does not do the correct job (finding only 5 occurrence) ...
grep -R '!$omp' . finally show me (as well as your sequence) the OpenMP
optimization
in the code is mass
Dear QE users,
I am running the wannier canculation for Bi2Se3. I have successfully run
scf, nscf, wannier90.x -pp. But while running pw2wannier90.x I am getting
this error.
%%
Error in routine pw2wannier90 (1):
You have given both prefix and seedname and the script does not end with a
"/". Probably this is creating the problem.
On Tue, Feb 1, 2022, 10:34 Soumendra Kumar Das
wrote:
> Dear QE users,
>
> I am running the wannier canculation for Bi2Se3. I have successfully run
> scf, nscf, wannier90.x -pp.
