[Wien] x_lapw

[Peter Blaha]

What compiler are you using ? If it is ifort 10.1 there was a recent thread
on the mailing list that one cannot use full optimization for lapw2 because of
a compiler-optimization bug.
So check your compiler options for lapw2 (l2main.F in particular).

Yongsheng Zhang schrieb:
> Thanks Peter. This problem is solved. But when I run "x lapw2", it shows
> " floating point exception" problem.
> 
> Invalid null command.
> forrtl: error (75): floating point exception
>    0: __FINI_00_remove_gp_range [0x3ff81a6de38]
>    1: __FINI_00_remove_gp_range [0x3ff81a76e60]
>    2: __FINI_00_remove_gp_range [0x3ff800d4fc0]
>    3: lapw2_ [lapw2_tmp_.F: 589, 0x120077cb4]
>    4: main [for_main.c: 203, 0x12009cf9c]
>    5: __start [0x120008ed8]
> Abort (core dumped)
> 
> It seems it is a specific problem in  Compaq machine. And while if I
> apply the "x lapw2" in old wien2k version, it work.
> 
> Thanks,
> Zhang
> 
> Peter Blaha wrote:
>> I'd expect that this is a problem with your Linux version.
>> Specifically with the csh.
>>
>> Test if you have both, a csh and tcsh  (which csh; which tcsh)
>>
>> replace in the first line of   x_lapw     the csh by tcsh
>> and run again x nn
>>
>>
>>
>> zhang at fhi-berlin.mpg.de schrieb:
>>   
>> ________________________________
>> Wien mailing list
>> Wien at zeus.theochem.tuwien.ac.at
>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>>   
> 
> 

-- 

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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