Many thanks.
From: Paolo Giannozzi<mailto:p.gianno...@gmail.com>
Sent: Wednesday, September 15, 2021 3:18 AM
To: Quantum ESPRESSO users Forum<mailto:users@lists.quantum-espresso.org>
Subject: Re: [QE-users] error in pw.x
On Tue, Sep 14, 2021 at 12:09 PM LEUNG Clarence
ma
On Tue, Sep 14, 2021 at 12:09 PM LEUNG Clarence
wrote:
> There is an error in pw.x as
>
> Error in routine fft_type_set (6):
>
> there are processes with no planes. Use pencil decomposition (-pd .true.)
>
it's not an error but a sign of bad parallelization: too many MPI
processors are u
Dear QE users,
There is an error in pw.x as
Error in routine fft_type_set (6):
there are processes with no planes. Use pencil decomposition (-pd .true.)
my input file is a two layer graphite with 100 atoms
&CONTROL
calculation='vc-relax',
prefix='gp',
etot_conv_thr = 3.5D-7 ,
for
On Sat, Oct 17, 2020 at 5:47 AM Sai vishnu wrote:
this is my input file.
>
doesn't run: ibrav is not specified
Paolo
--
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
__
dear users,
while i am running a simple scf calculation it showing this error.
%%
Error in routine invmat (1):
error in DGETRF
%%
