[Wien] compiling error of lapw1_mpi

[Wien2k User]

Thank you very much

With the new version, all the installations were done without any error,
without and with ELPA

Le ven. 14 juin 2019 à 16:09, Peter Blaha <pblaha at theochem.tuwien.ac.at> a
écrit :

> 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
> --------------------------------------------------------------------------
> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
> Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
> Email: blaha at theochem.tuwien.ac.at    WIEN2k: http://www.wien2k.at
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