[QE-users] installation QE with mpi
Mohamed Ahmed Abd-Elati
maa at niles.edu.eg
Tue Apr 30 18:25:29 CEST 2019
Dear Paolo
I am trying to run my job using the command
mpirun -np 10
/media/mohamed/5E2B53A447660601/QE-Code/q-e-qe-6.4.1/bin/pw.x"-in
5x5-H.relax.in" 5x5-H.relax.out *as you advise me but I am faced the
following error*
*...................................................*
* stopping ... Program PWSCF v.6.4.1 starts on 30Apr2019 at 17:59:40
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 <http://www.quantum-espresso.org>", in
publications or presentations arising from this work. More details at
http://www.quantum-espresso.org/quote
<http://www.quantum-espresso.org/quote> Serial version Waiting for
input... Reading input from standard
input %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine read_namelists (2): could not find namelist
&control %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
stopping ... Program PWSCF v.6.4.1 starts on 30Apr2019 at 17:59:40
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 <http://www.quantum-espresso.org>", in
publications or presentations arising from this work. More details at
http://www.quantum-espresso.org/quote
<http://www.quantum-espresso.org/quote> Serial version Waiting for
input... Reading input from standard
input %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine read_namelists (2): could not find namelist
&control %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
stopping ...from test_input_xml: input file not opened or emptySTOP 1from
test_input_xml: input file not opened or emptySTOP 1from test_input_xml:
input file not opened or emptySTOP 1from test_input_xml: input file not
opened or emptySTOP 1from test_input_xml: input file not opened or
emptySTOP 1from test_input_xml: input file not opened or emptySTOP 1from
test_input_xml: input file not opened or emptySTOP 1from test_input_xml:
input file not opened or emptySTOP 1 Program PWSCF v.6.4.1 starts on
30Apr2019 at 17:59:40 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 <http://www.quantum-espresso.org>",
in publications or presentations arising from this work. More details
at http://www.quantum-espresso.org/quote
<http://www.quantum-espresso.org/quote> Serial
version.................................................................................*
*maybe something error occur during installation so can you please provide
me with any reference or instruction of installation QE with openmpi.*
*thanks*
*Mohammed A. Abdelati*
*Assistant Lecturer*
Laser Applications in Metrology Photochemistry and Agriculture (LAMPA)
Department, National Institute of Laser Enhanced Sciences (NILES), Cairo
University, Giza, Egypt.
Mobile +20 1009752922
Home +201152605076
E-mail ma1986ff at yahoo.com
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