[Wien] Installation of 14.1 vs 13.1 using gfortran+gcc

[Peter Blaha]

Thank's for the report.

gfortran is much more picky than ifort, so non-standard programming gets
accepted with ifort, but not with gfortran.

A modified Tmaker.f program will be supplied in the next version, where the
corresponding read statements are replaced by something like:

          read(10,'(a)') row
          READ(row(25:79),*) ai,bi,ci
!         write(*,*) ai,bi,ci
          read(10,'(a)') row
          READ(row(25:79),*) alpha,beta,gamma
....
          read(10,'(a)') row
          READ(row(20:79),*) xp,yp,zp
...
          read(10,'(a)') row
          READ(row(20:79),*) xp,yp,zp
!         READ(10,1007) xp,yp,zp




On 10/09/2014 03:30 PM, Priyanka Seth wrote:
> Dear Wien2k users and developers,
>
> I have been trying to install the 14.1 version of the code on the
> machines that I use, but have struggled when using gfortran+gcc while
> installation on ifort+mkl combination works beautifully.
>
> More specifically, I am installing sequentially on Ubuntu 14.04 machines
> with standard lapack and blas, gfortran and gcc (I have tried both
> versions 4.8 and 4.9 unsuccessfully). I have chosen the siteconfig_lapw
> settings as follows:

> SRC_lapw0:
> pwxad5.f:22.9:
>
>        IF(GGA_SWITCH .EQ. .true.) THEN
>           1
> Error: Logicals at (1) must be compared with .eqv. instead of .eq.
> make[1]: *** [pwxad5.o] Error 1
>
>
> SRC_Tmaker:
> rm -f Tmaker.o
> clean
> gfortran -c -ffree-form -O2 -ffree-line-length-none  Tmaker.f
> Tmaker.f:485.19:
>
>   1007 FORMAT(20X,F,F,F)
>                     1
> Error: Nonnegative width required in format string at (1)
> Tmaker.f:493.19:
>
>   1025 FORMAT(24X,F,F,F)
>                     1
> Error: Nonnegative width required in format string at (1)
> Tmaker.f:55.21:
>
>           READ(10,1025) alpha,beta,gamma
>                       1
> Error: FORMAT label 1025 at (1) not defined
> Tmaker.f:55.21:
>
>           READ(10,1025) alpha,beta,gamma
>                       1
> Error: FORMAT label 1025 at (1) not defined
> Tmaker.f:249.21:
>
>           READ(10,1007) xp,yp,zp
>                       1
> Error: FORMAT label 1007 at (1) not defined
> Tmaker.f:1313.20:
>
>              if(Eqrv(sp,s6(1,k),ndim,.0001)) then
>                      1
> Warning: Type mismatch in argument 'a' at (1); passed REAL(8) to REAL(4)
> Tmaker.f:249.21:
>
>           READ(10,1007) xp,yp,zp
>                       1
> Error: FORMAT label 1007 at (1) not defined
> make: *** [Tmaker.o] Error 1
>
>
>
> Looking into the files with .EQ., it seems that not much has changed
> between 13.1 and 14.1. I know it is possible to simply replace EQ with
> EQV, but I am surprised that with the same system setup and compiler, it
> is a problem for one system and not another. Any ideas why?
>
> Many thanks for your help,
> Priyanka Seth
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> SEARCH the MAILING-LIST at:
> http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html

-- 

                                        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
WWW:   http://www.imc.tuwien.ac.at/staff/tc_group_e.php
--------------------------------------------------------------------------