[Wien] compiling error of lapw1_mpi

Peter Blaha pblaha at theochem.tuwien.ac.at
Fri Jun 14 16:08:59 CEST 2019


Yes, I can confirm this simple fix.

The new corrected version is on the web.

Regards

On 6/14/19 2:41 PM, Pavel Ondračka wrote:
> The first option how to fix this is to compile with ELPA (which I would
> recommend anyway as it is much faster).
> To fix the compilation you can move the definitions outside the ifdef
> ELPA block, i.e.,
> change line number 12 in seclr4.F from:
>    NPE, myrowhs, mycolhs,ictxt,ictxtall, NBELW_PARA, &
> to
>    NPE, myrowhs, mycolhs,ictxt,ictxtall, NBELW_PARA, lcolhs, dlcolhs, &
> 
> and line number 14 from
>    lcolhs, dlcolhs, elpa_switch, scala_switch, elpa_mem_default
> to
>    elpa_switch, scala_switch, elpa_mem_default
> 
> This should fix the compilation but I'm not familiar with this part of
> code enough to say how its intended to work. Hopefully prof. Blaha can
> confirm this is the correct solution.
> 
> Best regards
> Pavel
>                             
> 
> On Fri, 2019-06-14 at 11:31 +0200, Wien2k User wrote:
>> YES, we have compiling lapw1_mpi just with intel MPI without ELPA
>>
>> Le ven. 14 juin 2019 à 11:21, Pavel Ondračka <pavel.ondracka at email.cz
>>> a écrit :
>>> I'll make a guess that this is with MPI but without ELPA?
>>>
>>> The DLCOLHS and the others are defined inside "#ifdef ELPA" block
>>>
>>> #ifdef ELPA
>>>                             lcolhs, dlcolhs, elpa_switch,
>>> scala_switch,
>>> elpa_mem_default
>>> #else
>>>
>>> but used also in "#ifdef parallel"
>>> blocks (specifically the one starting from line 515). There is also
>>> error on line 712 probably for the same reason, but I got lost in
>>> the
>>> ifdef magic there so dunno.
>>>
>>> Pavel
>>>
>>>
>>> On Fri, 2019-06-14 at 09:36 +0200, Peter Blaha wrote:
>>>> Sorry, but I cannot reproduce this.
>>>>
>>>> On 6/14/19 1:10 AM, Wien2k User wrote:
>>>>> Dear Prof. P. Blaha
>>>>>
>>>>> I got this error when compiling lapw1_mpi with  mpiifort intel
>>>>> cluster
>>>>> edition 2018
>>>>>
>>>>> seclr4_tmp_.F(520): error #6404: This name does not have a
>>> type,
>>>>> and
>>>>> must have an explicit type.   [DLCOLHS]
>>>>>                  allocate(H(DLDHS,DLCOLHS))
>>>>> --------------------------------^
>>>>> seclr4_tmp_.F(520): error #6385: The highest data type rank
>>>>> permitted is
>>>>> INTEGER(KIND=8).   [DLCOLHS]
>>>>>                  allocate(H(DLDHS,DLCOLHS))
>>>>> --------------------------------^
>>>>> seclr4_tmp_.F(524): error #6385: The highest data type rank
>>>>> permitted is
>>>>> INTEGER(KIND=8).   [DLCOLHS]
>>>>>                  allocate(Z(DLDHS,DLCOLHS))
>>>>> --------------------------------^
>>>>> seclr4_tmp_.F(712): error #6404: This name does not have a
>>> type,
>>>>> and
>>>>> must have an explicit type.   [LCOLHS]
>>>>>           deallocate(Z) ; allocate(Z(LDHS,LCOLHS))
>>>>> ----------------------------------------^
>>>>> seclr4_tmp_.F(712): error #6385: The highest data type rank
>>>>> permitted is
>>>>> INTEGER(KIND=8).   [LCOLHS]
>>>>>           deallocate(Z) ; allocate(Z(LDHS,LCOLHS))
>>>>>
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-- 

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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Email: blaha at theochem.tuwien.ac.at    WIEN2k: http://www.wien2k.at
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