The ABINIT Users Mailing List ( CLOSED )

["sun jason" <jasonsun98@hotmail.com>]

Dear abinit users,

I send this mail again because I really confused by this problem and don't 
know how to find the way out.. 

I'm doing test of optic according to the Tutorial.
just like toptic_3.in and toptic_4.in.
when I set ngkpt 3*4, 3*8, 3*16, the optic ran propertly, I got the right 
result.
and when I set 3*24, the "abinip" results look right, but the "optic" 
cann't 
run. 
the message said that:

Segmentation fault

and the log file is like this:
--------------------------------------
Starting date : Mon 10 Oct 2005.

Please, give the name of the data file ...
The name of the data file is :
toptic_4.in 


Please, give the name of the output file ...
The name of the output file is :
toptic_4.out 


Please, give the root name for the (non)linear optical data output file ...
The root name of the output files is :
toptic_4

rprimd(bohr) = 0.00000 5.30000 5.30000
5.30000 0.00000 5.30000
5.30000 5.30000 0.00000
natom = 2
nkpt,mband = 27648 9
ecut = 2.00000 Ha
fermie = 0.00000 Ha 0.00000 eV

--------------------------------------

is 24*24*24 too large? my machine is a PC-cluster with 8 node (each node 
contains 2*xeon 3.0 GHz cpu, 2GB memory)

I've downloaded abinit-4.5.4 and test it again, the problem is same.

any suggestion and comments would be very appreciated.

Best regards,
============================================== 
Jian SUN 
Physics Dept. of Nanjing University 
National Lab. of Solid State Microstructures 
22 Hankou Road, Gulou District 
Nanjing, Jiangsu Province 
210093 
China 
==============================================