[Pw_forum] electron phonon error

Aritz Leonardo swblelia at sw.ehu.es
Tue Jan 25 12:15:01 CET 2005


Hello:

I am running an electron-phonon calculation for Mg bulk.
I am using an alpha machine with the following caracteristics:

    Operating System: Tru 64 Unix 5.1
    f90 compaq compiler (5.5)


Every thing runs nicely until the second "nscf" calculation needs more 
than 9999 points. Then the program stops without aborting generating 
this output:

          k(****) = (  -0.3333333  -0.5773503  -0.3080715), wk =   0.0001578
            k(****) = (  -0.2333333  -0.3673503  -0.1567263), 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

and this error:

        stty: tcgetattr: Not a typewriter
        forrtl: error (72): floating overflow
           0: __FINI_00_remove_gp_range [0x3ff81a6de38]
           1: __FINI_00_remove_gp_range [0x3ff81a76a20]
           2: __FINI_00_remove_gp_range [0x3ff800d5b90]
           3: WFCINIT_K forrtl: error (78): process killed (SIGTERM)
           0: __FINI_00_remove_gp_range [0x3ff81a6de38]
           1: __FINI_00_remove_gp_range [0x3ff81a772c0]
           2: __FINI_00_remove_gp_range [0x3ff800d5b90]
           3: __FINI_00_remove_gp_range [0x3ff81ad7d0c]
           4: __FINI_00_remove_gp_range [0x3ff81ac9bcc]
           5: __FINI_00_remove_gp_range [0x3ff81aaf3c0]
           6: __FINI_00_remove_gp_range [0x3ff81a6de38]
           7: __FINI_00_remove_gp_range [0x3ff81a76a20]
           8: __FINI_00_remove_gp_range [0x3ff800d5b90]
           9: WFCINIT_K


To compile the program I used :

    ./configure --disable-parallel --enable-shared
    make all

All I can say is that it is not a disk space problem and repeat that it 
only happens when the number of k points  is bigger than 9999 points.

I attached the input.
Thank you very much




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