[Wien] fold2Bolch - gfortran

[Catalina Coll]

Thank you very much

Catalina Coll

PhD Candidate

LENS - Laboratory of Electron Nanoscopy
MIND - Micro-Nanotechnology and Nanoscopies for electrophotonic Devices
IN2UB - Institute of Nanoscience and Nanotechnology


Departament d'Enginyeria Electrònica i Biomèdica - Universitat de Barcelona
c/ Martí i Franquès 1
08028 Barcelona
Tel: (+34) 93 403 91 75



Missatge de Peter Blaha <pblaha at theochem.tuwien.ac.at> del dia dl., 30 de
març 2020 a les 13:04:

> Change all  "not(dir)" to ".not.(dir)"
>
>
>
> Am 30.03.2020 um 11:55 schrieb Catalina Coll:
> > Thanks for the answer.
> > I have tried the suggested flags and I get the same error message.
> > Here is the error:
> > fold2Bloch.F90:393:9:
> >
> >    if (not(dir)) then
> >           1
> > Error: ‘i’ argument of ‘not’ intrinsic at (1) must be INTEGER
> > fold2Bloch.F90:438:9:
> >
> >    if (not(dir)) then
> >           1
> > Error: ‘i’ argument of ‘not’ intrinsic at (1) must be INTEGER
> > fold2Bloch.F90:447:5:
> >
> >    dir=1
> >       1
> > Warning: Extension: Conversion from INTEGER(4) to LOGICAL(4) at (1)
> > fold2Bloch.F90:463:9:
> >
> >    if (not(dir)) then
> >           1
> > Error: ‘i’ argument of ‘not’ intrinsic at (1) must be INTEGER
> > fold2Bloch.F90:546:9:
> >
> >    if (not(dir)) then
> >           1
> > Error: ‘i’ argument of ‘not’ intrinsic at (1) must be INTEGER
> >
> > Best regards,
> >
> > Catalina Coll
> >
> > PhD Candidate
> >
> > LENS - Laboratory of Electron Nanoscopy MIND - Micro-Nanotechnology and
> > Nanoscopies for electrophotonic Devices IN2UB - Institute of Nanoscience
> > and Nanotechnology
> >
> > Departament d'Enginyeria Electrònica i Biomèdica - Universitat de
> Barcelona
> >
> >
> >
> > Missatge de Pavel Ondračka <pavel.ondracka at email.cz
> > <mailto:pavel.ondracka at email.cz>> del dia dl., 30 de març 2020 a les
> 11:27:
> >
> >     Hi,
> >
> >     gfotran should in theory compile anything what ifort does (assuming
> the
> >     code is a valid standard fortran, which might not be a case for stuff
> >     which is only used/tested with ifort). Just set the compiler to
> >     gfortran instead of ifort, use the same flags as for Wien2k ("-ffree-
> >     form -ffree-line-length-none -O2" might be a good start) and if you
> run
> >     into any issues, provide the specific compile commands you use and
> also
> >     the errors.
> >
> >     Best regards
> >     Pavel
> >
> >     On Mon, 2020-03-30 at 11:00 +0200, Catalina Coll wrote:
> >      > Dear users and developers,
> >      >
> >      > I would like to know if is possible to compile fold2Bloch with
> >      > gfortran (I currently have WIEN2k compiled with gfortran).
> >      >
> >      > Thanks in advance.
> >      >
> >      > Catalina Coll
> >      > PhD Candidate
> >      > LENS - Laboratory of Electron Nanoscopy
> >      > MIND - Micro-Nanotechnology and Nanoscopies for electrophotonic
> >      > Devices
> >      > IN2UB - Institute of Nanoscience and Nanotechnology
> >      > Departament d'Enginyeria Electrònica i Biomèdica - Universitat de
> >      > Barcelona
> >      >
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>
> --
> Peter Blaha
> Inst.Materials Chemistry
> TU Vienna
> Getreidemarkt 9
> A-1060 Vienna
> Austria
> +43-1-5880115671
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