[Pw_forum] (no subject)

[Francesco Antoniella]

Il 11:41, martedì 18 febbraio 2003, hai scritto:
> Dear all,
> I am using pwscf to do some bulk calculations. I have compiled the code
> on alpha (single processor) machine. when I run it, I get the error as
> following.
> forrtl: error (75): floating point exception
>    0: __FINI_00_remove_gp_range [0x3ff81a6c374]
>    1: __FINI_00_remove_gp_range [0x3ff81a7422c]
>    2: __FINI_00_remove_gp_range [0x3ff800d0b9c]
>    3: __FINI_00_remove_gp_range [0x3ffbf764298]
>    4: __FINI_00_remove_gp_range [0x3ffbf91acec]
>    5: __FINI_00_remove_gp_range [0x3ffbf8be014]
>    6: __FINI_00_remove_gp_range [0x3ffbfb07754]
>    7: __FINI_00_remove_gp_range [0x3ffbfb2ce3c]
>    8: __FINI_00_remove_gp_range [0x3ffbfa354d0]
>    9: __FINI_00_remove_gp_range [0x3ffbfa4719c]
>   10: cdiaghg_ [cdiaghg.f90: 114, 0x12004cb88]
>   11: cegterg_ [cegterg.f90: 226, 0x120059a40]
>   12: c_bands_ [c_bands.f90: 193, 0x12003aa94]
>   13: electrons_ [electrons.f90: 125, 0x120085534]
>   14: pwscf_ [pwscf.f90: 41, 0x12010fcb0]
>   15: main [for_main.c: 203, 0x1201d1b9c]
>   16: __start [0x120016de8]
>
> and the program gets aborted. This does not happen for all calculations
> i.e. I am able to do the slab calculations. For some bulk calculations
> only it happens. But same kind of bulk calculations I am able to do on a
> PC. Has somebody encountered this kind of a problem, if so please let me
> know?
I encountered the same problem.
Are you using the dxml or cxml library from DEC/Compaq ?
I worked around th problem linking the lapack and blas  before dxml letting 
the dxml do only the FFT
Regards
Francesco Antoniella
>
> Thanking you,
> Pushpa
>
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