[QE-users] Enormous stress from a previously flawless input

[Andrii Shyichuk]

Dear Community,

I've encountered a weird behaviour of several vc-relax calculations.
Namely, the SCF part is fine, but the stress part gives something like 
this:

        total   stress  (Ry/bohr**3)                   (kbar)     P=   
-35982.30
   -0.24459504   0.00000000   0.00000000       -35981.17        0.00      
   0.00
    0.00000000  -0.24461371   0.00002601            0.00   -35983.91      
   3.83
    0.00000000   0.00002601  -0.24459958            0.00        3.83   
-35981.83

As the steps go, total force remains about 0.25-0.3 and does not go 
down.

The best part: I also got that on the inputs that used to work before, 
with the same version on PW.

My QE is 6.5, the release version, compiled with Intel 16 and MKL.

I am almost positive that this is a supercomputer (or even a hardware) 
issue:
- it came out of the the blue;
- recompilation does not help.

The question:
Did anyone ever encounter anything like that, and what that can be 
related to?

Thank you in advance.
Best regards.
Andrii Shyichuk, University of Wrocław.