I am trying to run Quantum Espresso software. But it says " /home/tikaram/espresso-5.0.2/PW/examples/example01 : starting
This example shows how to use pw.x to calculate the total energy and the band structure of four simple systems: Si, Al, Cu, Ni.
executables directory: /home/tikaram/espresso-5.0.2/bin pseudo directory: /home/tikaram/espresso-5.0.2/pseudo temporary directory: /home/tikaram/tmp checking that needed directories and files exist...
ERROR: /home/tikaram/espresso-5.0.2/bin not existent or not a directory Aborting
Please check whether your installation was correct. As Darshana said, your executables directory.
Secondly you can check the access & permission to the folder (if it exists); perform appropriate admin based chmod execution to change preference.
thirdly, You can search for similar issues addressed in PW_Forum.
- As indicated by Darshana and the others, that command is not available in the bin. Depending on the environment setting just type pw.x the command line and see what happens. The PW-Forum has been there for almost a decade and it is possible that your question has been answered. Before you submit the current question, search the Forum archives with selected key words related to the problem. It is likely that you will find a solution.
If you are running the example using run_example, then you need to set the paths correctly in the file environment_variables. environment_variables is in the QE home directory.
Thanks Vaibhav. Also, I would like to ask
Still I have problems, It says:
.: 17: Can't open ../../../environment_variables.
How do I set path in environment_variables?
Well that should not happen. Directory structure for QE is quite well defined, unless one moves files manually.
On my system, for instance, if I go to
/home/vaibhav/packages/QE/intel.espresso-5.0.2/PW/examples/example01
vaibhav@vaibhav:~/packages/QE/intel.espresso-5.0.2/PW/examples/example01$ pwd
/home/vaibhav/packages/QE/intel.espresso-5.0.2/PW/examples/example01
and do ls on ../../../environment_variables,
vaibhav@vaibhav:~/packages/QE/intel.espresso-5.0.2/PW/examples/example01$ ls -lh ../../../environment_variables
-rw-r--r-- 1 vaibhav vaibhav 3.4K Jul 10 2013 ../../../environment_variables
I do get the details of the file. The file exists. Note: "please check permissions of the environment_variables file, if it exists, and still the program cannot read from it."
Thus, in summary
1. the file environment_variables should exist in QE root directory (espresso-5.0.2 or whatever version)
2. It should have read permissions for all users who will run the examples
BTW I am curious as to what you did to make
"ERROR: /home/tikaram/espresso-5.0.2/bin not existent or not a directory Aborting"
go away, since you graduated from that error to some other. Try to use the same logic for environment_variables as well.
Hope this helps. All the very best!
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