[Pw_forum] Error while running tests and examples

manoj panwar manojkumarpanwar at gmail.com
Mon Dec 3 14:49:33 CET 2012


*Hi All,
I am new to Quantum Espresso. I have install espresso-5.0.2.
Since we are working behind the campus Proxy (it requires proxy user name
and password).

While installing we got the following errors *

/*********************************************************************************************************/

( cd ../../bin ; ln -fs ../PW/tools/bands_FS.x . )
gfortran -O3 -g -c kvecs_FS.f
gfortran -g -o kvecs_FS.x kvecs_FS.o
/home/manoj/espresso-5.0.2/lapack-3.2/lapack.a -lfftw3
/home/manoj/espresso-5.0.2/BLAS/blas.a
( cd ../../bin ; ln -fs ../PW/tools/kvecs_FS.x . )
make[2]: Leaving directory `/home/manoj/espresso-5.0.2/PW/tools'
make[1]: Leaving directory `/home/manoj/espresso-5.0.2/PW'
cd install ; make  -f plugins_makefile neb
make[1]: Entering directory `/home/manoj/espresso-5.0.2/install'
*** Unable to download neb. Test whether curl or wget is installed and
working,
*** if you have direct access to internet. If not, copy into archive/ the
file
*** neb-5.0.2.tar.gz from
http://files.qe-forge.org/index.php?file=neb-5.0.2.tar.gz.
make[1]: *** [uncompress-neb] Error 1
make[1]: Leaving directory `/home/manoj/espresso-5.0.2/install'
make: *** [neb] Error 2

/*************************************************************************************************************/

*Solution:
We Manual download the following files and coped them into the archive/
directory

neb-5.0.2.tar.gz.
PHonon-5.0.2.tar.gz
pwcond-5.0.2.tar.gz
atomic-5.0.2.tar.gz
tddfpt-5.0.2.tar.gz

after this make all run without any error.*

*Then while running

cd PW/tests/
./check_pw.x.j

we got the following error.*

/*****************************************************************************************************************/
  Program PWSCF v.5.0.2 (svn rev. 9392) starts on  3Dec2012 at 18:57:31

     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.php

     Serial version

     Current dimensions of program PWSCF are:
     Max number of different atomic species (ntypx) = 10
     Max number of k-points (npk) =  40000
     Max angular momentum in pseudopotentials (lmaxx) =  3
     Reading input from /home/manoj/espresso-5.0.2/PW/tests/atom.in

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine read_ncpp (1):
     pseudo file is empty or wrong
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...

/*******************************************************************************************************************/

*and then also try running*
*cd CPV/tests/
./check_cp.x.j

got the following error *

/*******************************************************************************************************************/

     Program CP v.5.0.2 (svn rev. 9392) starts on  3Dec2012 at 18:59:17

     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.php

     Serial version
     Reading input from /home/manoj/espresso-5.0.2/CPV/tests/h2o-mt-blyp.in1

   Job Title:  Water Molecule


   Atomic Pseudopotentials Parameters
   ----------------------------------

   Reading pseudopotential for specie #  1 from file :
   /home/manoj/espresso-5.0.2/pseudo/O.blyp-mt.UPF
   file type is old PWscf NC format

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine read_ncpp (1):
     pseudo file is empty or wrong
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...

/*******************************************************************************************************************/

*Please suggest us, how can we debug this runtime error.*

-- 
Regards,
Manoj Kumar Panwar,
Pradeep Research Group
IIT Madras, India
Mobile: +91-9940268725
Email: manojkumarapnwar at gmail.com <manojkumarapnwar at gmail.com>
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