ABINIT Discussion Forums

Dear Sir,
I am a new user of ABINIT. I have installed the latest version of ABINIT (abinit-6.0.4) on my PC having linux version


I have read the tutorial, when I run programmes of lesson1 and 2 it run quite easily.


when I tried to run for lesson3 (taking all the files mentioned in lesson3). It runs but taking long time means it runs for more than 2 days but not completed.

similar observation for lesson 4.

Please advice.


DR. Ashish Pathak

Dr. Ashish Pathak wrote:when I tried to run for lesson3 (taking all the files mentioned in lesson3). It runs but taking long time means it runs for more than 2 days but not completed.

No, this is not normal ... You can find typical
corresponding output files in tests/tutorial/Refs , you will see that
you need between seconds and two minutes at most.

There must be a problem of installation/compilation/library/...

X.

Sir,
As per your suggestion, I install again Abinit-6.0.4 as root
When I give the command make check it runs and stops mentioned below


Testing the Abinit code on the test Linux platform
Suite of various fast tests of abinit and newsp

Following tests will be run: first to end
Do not create directory, tmp-test_Linux_20100628 already exists
cd tmp-test_Linux_20100628

[fast][t01] File ab.files created, starting abinit
[fast][t01] Finished abinit (Runtime: 6 seconds)
[fast][t01] Comparing t01.out with reference file
[fast][t01] Reference file: /home/ashish/abinit-6.0.4/tests/fast/Refs/t01.out
Doing floating point compare of t01.out with /home/ashish/abinit-6.0.4/tests/fast/Refs/t01.out and option

[fast][t02] File ab.files created, starting abinit
[fast][t02] Finished abinit (Runtime: 27 seconds)
[fast][t02] Comparing t02.out with reference file
[fast][t02] Reference file: /home/ashish/abinit-6.0.4/tests/fast/Refs/t02.out
Doing floating point compare of t02.out with /home/ashish/abinit-6.0.4/tests/fast/Refs/t02.out and option

[fast][t03] File ab.files created, starting abinit



Please, advice.


Ashish Pathak

Hi,
First, I guess ou already know that the error you encounter is most likely coming from the compiling tools you use. I also guess that you have tried various level of optimization of the binary code to try to circumvent your problem ?

Here follows a possible way to get out of your problem :
Do you have any experience in running a debugger ? If you have, it could be a nice tool to try solving this mystery. If I understand correctly Abinit is running an infinite loop while trying to pass test number 3 ? To check what is happening I would proceed the following way :
- compile Abinit with debugging symbols (option -g on the compilation line).
- run again the fast tests. If the same error doesn't happen any more, it would mean that the errors produced by your compiler are very sensitive to optimization and that you may better try again optimization tweaking. Otherwise proceed to the following.
- Run only the test that fails in the debugger (doing something like

Once you've waited enough, interrupt the run by sending an interruption signal (usually using ctrl+c). Then input "bt" to the debugger. It should print you exactly where the code was at the moment you interrupted it. From this point you can start debugging; or at least, knowing which file fails try to compile this file only with specific option.

Hope, I'm not missing something I should have read previously...
regards

PMA