[Pw_forum] nscf error

[Aritz Leonardo]

hi!

Does anybody recognise this error? It happens whenever the nscf 
calculation needs more than 9999 k-points.
The program is compiled in an ALPHA machine with UNIX 5.1 in the 
following way

./configure -enable-shared -disable-parallel

OUTPUT:

        k(13198) = (  -0.3333333   0.6415003  -0.2007133), wk =   0.0000000
        k(13199) = (  -0.3333333   0.5773503  -0.2800650), wk =   0.0003157
        k(13200) = (  -0.3333333   0.6415003  -0.2287198), wk =   0.0000000

     G cutoff =   79.9791  (   4187 G-vectors)     FFT grid: ( 18, 18, 30)

     nbndx  =    24  nbnd   =     6  natomwfc =     8  npwx   =     549
     nelec  =    4.00 nkb   =     2  ngl    =     256

     The initial potential is read from file         mg.pot
     Starting wfc are atomic
  IOS =           38

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from davcio : error #        10
     i/o error in davcio
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...

DBX message:

enter object file name (default is `a.out'): pw_deb.x
dbx version 5.1
Type 'help' for help.

pwscf:   Source not available
(dbx) run pw_deb.x < nscf.in > nscf.out
2
forrtl: severe (28): CLOSE error, unit 10, file "Unknown"
   0: __FINI_00_remove_gp_range [0x3ff81a21488]
   1: __FINI_00_remove_gp_range [0x3ff81a23140]
   2: __FINI_00_remove_gp_range [0x3ff81a62990]
   3: errore_ [error.f90: 108, 0x1202726c0]
   4: davcio_ [davcio.f90: 47, 0x12007f420]
   5: WFCINIT_K [wfcinit.f90: 474, 0x1201d7e70]
   6: wfcinit_ [wfcinit.f90: 53, 0x1201d8150]
   7: init_run_ [init_run.f90: 43, 0x1200fead8]
   8: pwscf_ [pwscf.f90: 78, 0x120031fa4]
   9: main [for_main.c: 203, 0x1202724bc]
  10: __start [0x120031b98]

Program terminated normally