[QE-users] RE error while run GWW/head.x
Amadeus
760158264 at qq.com
Sat Mar 20 09:57:55 CET 2021
Dear qe user
I'm repeating the example provided by qe-6.7/GWW/example02, in step 2, head.x can't operate properly. head.out show that:
Program PHONON v.6.7MaX starts on 20Mar2021 at 14:40:36
This program is part of the open-source Quantum ESPRESSO suite
for quantum simulation of materials; please cite
"P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
"P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);
URL http://www.quantum-espresso.org",
in publications or presentations arising from this work. More details at
http://www.quantum-espresso.org/quote
Parallel version (MPI), running on 4 processors
MPI processes distributed on 1 nodes
R & G space division: proc/nbgrp/npool/nimage = 4
Ultrasoft (Vanderbilt) Pseudopotentials
Reading xml data from directory:
/lustre/home/rencong/qe-6.7/tempdir/si.save/
IMPORTANT: XC functional enforced from input :
Exchange-correlation= PZ
( 1 1 0 0 0 0 0)
Any further DFT definition will be discarded
Please, verify this is what you really want
Parallelization info
--------------------
sticks: dense smooth PW G-vecs: dense smooth PW
Min 124 124 36 2096 2096 340
Max 125 125 37 2097 2097 343
Sum 497 497 145 8385 8385 1365
Reading collected, re-writing distributed wavefunctions
Message from routine ph_restart_set_filename :
cannot open file for reading or writing
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine initialize_grid_variables (1):
problems reading u
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