[QE-developers] Bug in non self-consistent calculation

[Lorenzo Monacelli]

Hi Lorenzo,

The error occurs also with 1 processor, but in a different level:

if I do not request extra bands the multiprocessors crashes while the 
single processor works. If I increase a bit the number of bands, both 
crashes with this S matrix error but at different points.

Cheers

On 12/06/19 12:43, Lorenzo Paulatto wrote:
>> The QE version I used is the current version in the develop branch of 
>> gitlab, 
>
> Thank you Lorenzo,
> this look an awful lot like the problem i have with the nscf 
> calculation at the beginning of D3Q. Did you check if this happens in 
> both serial and parallel ?
>
> cheers
>
>