2015-08-21 17:54 GMT+08:00 Nick Papior <[email protected]>:
> This is currently a bug in the gen-basis code.
> It has already been fixed for the next release of the trunk version.
>
> Please use another version of siesta to get that utility.

Thanks a lot for your notes.

Hongyi

>
> 2015-08-21 3:08 GMT+02:00 Hongyi Zhao <[email protected]>:
>>
>> Hi all,
>>
>> I've compiled the siesta/transiesta of the siesta-trunk-462  using the
>> intel ifort + intel mkl + intelmpi.
>>
>> But, when I continue to compile the Util, I finally failed in the
>> following step:
>>
>> --------------------
>> gen-basis.F(123): error #6633: The type of the actual argument differs
>> from the type of the dummy argument.   [BASP]
>>      $           split_norm(0:,1:,is), basp)
>> ---------------------------------------^
>> gen-basis.F(115): error #6631: A non-optional actual argument must be
>> present when invoking a procedure with an explicit interface.   [QWID]
>>             call atom_main( iz(is), lmxkb(is),
>> -----------------^
>> gen-basis.F(115): error #6631: A non-optional actual argument must be
>> present when invoking a procedure with an explicit interface.
>> [SPLIT_NORM]
>>             call atom_main( iz(is), lmxkb(is),
>> -----------------^
>> gen-basis.F(115): error #6631: A non-optional actual argument must be
>> present when invoking a procedure with an explicit interface.
>> [FILTERCUT_IN]
>>             call atom_main( iz(is), lmxkb(is),
>> -----------------^
>> gen-basis.F(115): error #6631: A non-optional actual argument must be
>> present when invoking a procedure with an explicit interface.   [BASP]
>>             call atom_main( iz(is), lmxkb(is),
>> -----------------^
>> gen-basis.F(115): error #8284: If the actual argument is scalar, the
>> dummy argument shall be scalar unless the actual argument is of type
>> character or is an element of an array that is not assumed shape,
>> pointer, or polymorphic.   [QYUK]
>>             call atom_main( iz(is), lmxkb(is),
>> -----------------^
>> compilation aborted for gen-basis.F (code 1)
>> make: *** [gen-basis.o] Error 1
>>
>> ---------------------
>>
>> The arch.make is attached here.
>>
>> Any hints for this issue?
>>
>> Regards
>> --
>> Hongyi Zhao <[email protected]>
>> Xinjiang Technical Institute of Physics and Chemistry
>> Chinese Academy of Sciences
>> GnuPG DSA: 0xD108493
>
>
>
>
> --
> Kind regards Nick



-- 
Hongyi Zhao <[email protected]>
Xinjiang Technical Institute of Physics and Chemistry
Chinese Academy of Sciences
GnuPG DSA: 0xD108493

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