Error in routine splitwf (537): wrong size for pwt

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Bill Ash

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Jun 13, 2025, 5:05:52 AMJun 13

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Dear BGW developers,

I used qe-bgw to calculate the silicon_SOC of BerkeleyGW-examples (BerkeleyGW-examples/DFT/silicon_SOC/ESPRESSO/script_2 at master · BerkeleyGW/BerkeleyGW-examples · GitHub). When I calculated pw2bgw for script_2, I encountered the following problem. How should I solve it?

Program PW2BGW v.7.2 starts on 13Jun2025 at 16:20:55

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);
"P. Giannozzi et al., J. Chem. Phys. 152 154105 (2020);
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 32 processors

MPI processes distributed on 1 nodes
R & G space division: proc/nbgrp/npool/nimage = 32
235030 MiB available memory on the printing compute node when the environment starts

Reading xml data from directory:

./silicon.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 11 11 3 142 142 25
Max 12 12 4 145 145 29
Sum 361 361 121 4573 4573 869

Using Pencil Decomposition

Reading collected, re-writing distributed wavefunctions

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine splitwf (537):
wrong size for pwt
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

stopping ...
Abort(1) on node 0 (rank 0 in comm 0): application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0