[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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