[QE-users] running example problem

Marco Polo marqpolo at yahoo.com.mx
Fri Apr 20 15:42:48 CEST 2018


Dear all,

I am trying to install QE-6.2.1 in Ubuntu 16.04

first I did

./configure

make all

Installation seems to be successful.

Then I changed the environmental variables in the following way:

PREFIX='cd /home/marco/Quantum-Espresso/qe-6.2.1; pwd'
BIN_DIR=/home/marco/Quantum-Espresso/qe-6.2.1/bin
PSEUDO_DIR=/home/marco/Quantum-Espresso/qe-6.2.1/pseudo
# Beware: everything in $TMP_DIR will be destroyed !
TMP_DIR=/home/marco/Quantum-Espresso/qe-6.2.1/temp

Then I try to run an example:

qe-6.2.1-examples/PW/examples/example04/run_example


first I changed in the example the address of environmental variables by:

/home/marco/Quantum-Espresso/qe-6.2.1/environment_variables

then I do

./run_example


but the result is the following:

/home/marco/Quantum-Espresso/qe-6.2.1-examples/PW/examples/example04 : 
starting

This example shows how to calculate the polarization via Berry Phase
in PbTiO3 (contributed by the Vanderbilt Group in Rutgers University).

   executables directory:
   pseudo directory:
   temporary directory:
   checking that needed directories and files exist...
ERROR: /pw.x not existent or not executable
Aborting


I have verified that

pw.x file is in /home/marco/Quantum-Espresso/qe-6.2.1/PW/src


It also has all permissions.

I assume that pw.x was compiled by ./configure make all. Am I right?

additionally I did --> make pw

It seems that the executables directories are not recognized.

How do I solve this problem?


Best regards,

Marco Polo



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