[Wien] Error running SCF

[Peter Blaha]

Looks like a strange error.

The ifort 2011 (depending on the exact version) has many bugs in the optimizer, and it could
be that you see another one.

Try to recompile with -O0 (or -O1).

If this does not help, try to upgrade to WIEN2k_11, so that we know you are using the most recent source.

Am 26.04.2011 05:13, schrieb Jose Alfredo Camargo Martinez:
> I compile Wien2k_10 (with Intel Fortran 2011 Composer XE for Linux). But when running the SCF, appears error:
>
> sork at sork:~/WIEN2k/wien2k_10/TiC$ run_lapw
> hup: Command not found.
> Invalid null command.
> forrtl: severe (174): SIGSEGV, segmentation fault occurred
> Image              PC                Routine            Line        Source
> lapw0              0000000000417849  energy_                   175  energy.F
> lapw0              00000000004527E5  MAIN__                   1802  lapw0.F
> lapw0              00000000004039EC  Unknown               Unknown  Unknown
> libc.so.6          00002BA4BB980C4D  Unknown               Unknown  Unknown
> lapw0              00000000004038E9  Unknown
>           Unknown  Unknown
>
>
> I'm using the option "ulimit-s unlimited" (defined in bashrc)
-- 

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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