The ABINIT Users Mailing List ( CLOSED )

[Pio Bättig <baettigp@gmx.net>]

Hello,

this depends on the size of your system, the speed of your computer, the 
accuracy you specified (number of k-points, cutoff-energy,....) ...

Does the program still write something to the logfile or the output?
"tail -f log" should write what is added to the logfile to the screen. 
If you don't get any output (within a reasonable amount of time) then it 
is possible, that your program got caught in an infinite loop somewhere.

Do a "grep -i etot log" and check the convergence. Does the total energy 
converge to a stable value (second column is delta E, this should be 
getting slower) or does it oscillate wildly? If it does, stop the 
calculation and check your input (mixing method, metallic, insulator.....)

Another thing to check is the memory-usage. If you use the command 
'top', you should see the amount of memory abinit uses. If this amount 
is a lot larger than the physical memory of your computer, this means 
that the calculation is swapping to the harddisk which is a lot slower 
than the RAM.

I hope this gives some starting points to check.

Best regards,

Pio Baettig



ghada ameereh wrote:
> Dear abinitor 
> my  jobs to make optimisation and relaxation are
> continue for more than one months .is this thing usual
> in abinit method?
>      ghada