[Smeagol-discuss] Potential

Lamjed Debbichi Lamjed.Debbichi at ipcms.u-strasbg.fr
Tue Mar 24 17:21:38 GMT 2009


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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