Dear all,
I am experiencing crashes of fs.x when using versions 6.3, 6.4, 6.5
and 6.6 either.
I'm running Quantum Espresso on the supercomputing cluster "galileo"
at CINECA, Italy, equipped with Intel Xeon E5-2697 v4 (Broadwell)
nodes, 1022 36-core compute nodes, each one contains 2 18-cores Intel
Xeon E5-2697 v4 (Broadwell) at 2.30 GHz.
I do as follows, all the input files and job submission scripts are attached:
1) run a scf calculation
2) run a nscf calculation
3) run fs.x
at step 3) QE crashes and I get in the .out file
Error in routine fill_fs_grid (1):
cannot locate k point
and in the CRASH file
task # 19
from fill_fs_grid : error # 1
cannot locate k point
Please, note that I asked to colleagues of mine at the University of
Warwick, where they use QE on a HPC infrastructure (Tinis) with Lenovo
NeXtScale nx360 M5 servers with 2 x Intel Xeon E5-2630 v3 2.4 GHz
(Haswell) 8-core processors, to run QE with the very same input files,
and they
told me that everything run smoothly with NO crash...
So, I suppose I'm doing a silly error in the submission script, or,
as suggested by my colleagues at Warwick, there is a compiling issue
on the CINECA machine I'm using.
Can you support me in understanding where or what I have to look at,
in order to deal with this issue, please?
BTW in step 2) I also used occupations = 'tetrahedra' or 'fixed',
with the same crash for fs.x
I thank you in advance for your help ,
Patrizio
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