[Smeagol-discuss] Potential

[Ivan Rungger]

Hello Lamjed,

  I do not know what is the problem, but this is what it might be:
1)maybe your .VH file is corrupted (to check this just recalculate it)
2)maybe you are running out of memory. For large meshes it is important
to set the stack size to unlimited in the shell where you execute the
Pot.exe program (for bash "ulimit -s unlimited").

Other than that I do not know. The potential code is very short and
simple, maybe you might just try to debug it to see what causes the problem.

Cheers,

  Ivan


Lamjed Debbichi wrote:
> Dear smeagol user's
>
> I met a problem when I use the program pot.f.  The program actually works
> well for other calculations. As against  in this case  it gives me the 
> following
>  message.
>
> Potential: cell =
>    37.794538    0.000000    0.000000
>     0.000000   37.794538    0.000000
>     0.000000    0.000000   58.771073
> Potential: mesh  =   240   240   360
> Spin:    nspin   =     1
> Potential: cell =
>    37.794538    0.000000    0.000000
>     0.000000   37.794538    0.000000
>     0.000000    0.000000   58.771073
> Potential: mesh  =******************
> Spin:    nspin   =     1
>    -50231041   5.291240
>
> forrtl: info (300): -1117789742 floating underflow traps
> forrtl: info (298): -1117754572 floating overflow traps
> forrtl: info (299): -1117726823 floating divide-by-zero traps
> forrtl: info (297): -1117707424 floating invalid traps
> forrtl: info (296): -1117696972 floating inexact traps
> forrtl: severe (174): SIGSEGV, segmentation fault occurred
> Image              PC                Routine            Line        Source
> libc.so.6          0000003FF8169365  Unknown               Unknown  Unknown
> pot                000000000041853D  Unknown               Unknown  Unknown
> pot                0000000000405B5D  Unknown               Unknown  Unknown
> pot                00000000004078B8  Unknown               Unknown  Unknown
> pot                0000000000407FE9  Unknown               Unknown  Unknown
> pot                00000000004026AF  Unknown               Unknown  Unknown
> libc.so.6          0000003FF811C3FB  Unknown               Unknown  Unknown
> pot                00000000004025EA  Unknown               Unknown  Unknown
> forrtl: info (300): -1117789742 floating underflow traps
> forrtl: info (298): -1117754572 floating overflow traps
> forrtl: info (299): -1117726823 floating divide-by-zero traps
> forrtl: info (297): -1117707424 floating invalid traps
> forrtl: info (296): -1117696972 floating inexact traps
> forrtl: error (76): IOT trap signal
> forrtl: info (300): -1117789742 floating underflow traps
> forrtl: info (298): -1117754572 floating overflow traps
> forrtl: info (299): -1117726823 floating divide-by-zero traps
> forrtl: info (297): -1117707424 floating invalid traps
> forrtl: info (296): -1117696972 floating inexact traps
>
> I want to know whether you have an idea about the origin of this 
> problem???*
>
>                   
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>
>   


-- 
=================================================
Ivan Rungger,

School of Physics and CRANN,  
Trinity College Dublin,  
Dublin 2,  IRELAND  
Phone: +353-1-8968454  
Email: runggeri at tcd.ie
=================================================