Good day Paolo,
Thanks for responding. dos.x allows parallelization. To prove my point
and as a workaround to this problem which has bothering me for quite
some time now, I ran it on the same cluster, but using 5.4.0:
(Although I also tried doing the single-thread-single-processor run
as inspired by
http://qe-forge.org/pipermail/pw_forum/2015-September/107940.html).
Program DOS v.5.4.0 starts on 12Nov2017 at 14:22:57
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);
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 & OpenMP), running on 12 processor cores
Number of MPI processes: 4
Threads/MPI process: 3
R & G space division: proc/nbgrp/npool/nimage = 4
Info: using nr1, nr2, nr3 values from input
Info: using nr1, nr2, nr3 values from input
IMPORTANT: XC functional enforced from input :
Exchange-correlation = PBE ( 1 4 3 4 0 0)
Any further DFT definition will be discarded
Please, verify this is what you really want
file C.pbe-n-kjpaw_psl.0.1.UPF: wavefunction(s) 2P renormalized
Parallelization info
--------------------
sticks: dense smooth PW G-vecs: dense smooth PW
Min 268 108 37 5896 1489 284
Max 269 109 38 5899 1509 285
Sum 1075 433 151 23589 5985 1139
Check: negative/imaginary core charge= -0.000004 0.000000
Gaussian broadening (default values): ngauss,degauss= 0 0.003675
DOS : 1.05s CPU 0.82s WALL
This run was terminated on: 14:22:57 12Nov2017
=------------------------------------------------------------------------------=
JOB DONE.
=------------------------------------------------------------------------------=
But this workaround still does not solve the root cause of the
problem. I would like to use the newest version of QE as much as
possible, but this problem really gets on my nerves. Until the time it
works properly, I might have to stick to older releases.
Date: Fri, 10 Nov 2017 16:14:25 +0100
From: Paolo Giannozzi <[email protected]>
Subject: Re: [Pw_forum] dos.x issues
To: PWSCF Forum <[email protected]>
Message-ID:
<CAPMgbCsUWmXuJUybE5m21dCEZ6BwBvqdu5Lz=ea2tn38ez6...@mail.gmail.com>
Content-Type: text/plain; charset="utf-8"
I would first of all try to run it on a single processor. I don't think
dos.x is parallelized.
Paolo
On Fri, Nov 10, 2017 at 1:47 PM, Wilbert James Futalan
<[email protected]> wrote:
> Hi, I'm having some trouble running dos.x in our cluster. I tried running the
> very same pw.x (scf and nscf) and dos.x in my own personal computer and they
> both seem to work just fine. Running it on the cluster however gives this
> error:
>
> Parallel version (MPI & OpenMP), running on 12 processor cores
> Number of MPI processes: 4
> Threads/MPI process: 3
> R & G space division: proc/nbgrp/npool/nimage = 4
>
> Info: using nr1, nr2, nr3 values from input
>
> Info: using nr1, nr2, nr3 values from input
> rank 0 in job 1 piv01_49932 caused collective abort of all ranks
> exit status of rank 0: return code 174
>
> What do you think could be wrong. I'm using QE 6.1 for the cluster but 5.4
> for my computer.
>
> Thanks.
>
>
>
> --
> Wilbert James C. Futalan
> Research Fellow I
> Laboratory of Electrochemical Engineering
> Department of Chemical Engineering
> University of the Philippines - Diliman
>
> _______________________________________________
> Pw_forum mailing list
> [email protected]
> http://pwscf.org/mailman/listinfo/pw_forum
>
--
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
--
Engr. Wilbert James C. Futalan
Research Fellow I
Laboratory of Electrochemical Engineering
Department of Chemical Engineering
University of the Philippines - Diliman
_______________________________________________
Pw_forum mailing list
[email protected]
http://pwscf.org/mailman/listinfo/pw_forum
