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Calculation of band gap for ZnS( GW1 tutorial)

Posted: Thu Jan 06, 2011 8:56 pm
by new_986
Hi everyone...
Im doing GW calculations for ZnS , if you have studied GW1 tutorial definitely you know there are 4 datasets , the problem I got while im doing it is the abinit program stops when calculations begin to do 4th dataset and it appears this message: segmentation fault
you have new email /var/root/mail... something like this, what it does mean please?? for knowledge im doing calculations on my own labtop computer with 2 GB of RAM and 2.1 GHZ of CPU



Nawzad A.

Re: Calculation of band gap for ZnS( GW1 tutorial)

Posted: Fri Jan 07, 2011 1:00 pm
by Alain_Jacques
Hello Nawzad,

segmentation fault ... it means that the processor tried to read or write a part of the memory it shouldn't have access to - see http://en.wikipedia.org/wiki/Segmentation_fault
The GW tutorial files are part of the test suite that is routinely used to check the code on a variety of platforms. So they have certainly passed the quality checking of the version of Abinit you are using - probably not a consolation for you. What I didn't catch is that you are experiencing segfault on the original tutorial files - GW tutorial 1 is about silicon or on modified versions to accommodate ZnS?
Anyway it is maybe a bug - there is no way to know without (extensive) info about your system and how you compiled the code. You are in the best position to find out why it crashes by analyzing the core dump with a debugger.

Kind regards,

Alain