[QE-users] compilation errors @ QE 6.8 version

[venky ch]

Dear QE users,

I forgot to send you the make.inc file related to this error. kindly find
the attached one.

The configuration was done using this command as given below.

"./configure  FC=ifort F77=ifort MPICC=mpiicc MPIF90=mpif90 CC=icc
BLAS_LIBS='-L/usr/local/lib/' LAPACK_LIBS='-L/usr/local/lib/'
SCALAPACK_LIBS='-L/opt/intel/composer_xe_2013.1.117/mkl/lib/intel64/'
--with-scalapack=intelmpi"



thanks

venkatesh

On Sat, Jul 31, 2021 at 1:09 AM venky ch <chvenkateshphy at gmail.com> wrote:

>
> Dear QE users,
>
> Recently, I tried to install the QE 6.8 version. While doing "make pw", I
> have noticed an error as given below. I have given a search on the internet
> and found that it is related to the old version of gfortran used here. But
> this line is compiled using mpif90. Can someone help me to resolve this
> issue.
>
> thanks
> venkatesh
>
> =================
>
> make[1]: Leaving directory `/home/proj/21/isuch/soft/QE/q-e-qe-6.8/FFTXlib'
> ( cd upflib ; make TLDEPS= all || exit 1 )
>
> .
> .
> .
> .
> .
> mpif90 -O3 -g -I/opt/intel/composer_xe_2013.1.117/mkl/include/fftw -cpp
> -D__DFTI -D__MPI -D__SCALAPACK -D__LIBXC -D__FFTW
>  -I/home/proj/21/isuch/soft/QE/q-e-qe-6.8//external/devxlib/src
> -I/home/proj/21/isuch/soft/QE/q-e-qe-6.8//include
> -I/home/proj/21/isuch/soft/QE/q-e-qe-6.8//FoX/finclude
>  -I/opt/intel/composer_xe_2013.1.117/mkl/include
> -I/home/proj/21/isuch/soft/libxc_install/include -I/opt/intel/impi/
> 4.1.0.024/intel64/include -I../UtilXlib -I../external/devxlib/src -c
> xmltools.f90
> xmltools.f90:51.16:
>
>   CHARACTER(LEN=:), ALLOCATABLE :: attrlist
>                 1
> Error: Syntax error in CHARACTER declaration at (1)
> xmltools.f90:181.31:
>
>        j1 = index ( attrlist(j0:), '=' )
>                                1
> Error: Syntax error in argument list at (1)
> xmltools.f90:182.29:
> .
> .
> .
> .
> .
> .
> .
> Error: Assumed-shape array 'zmat' at (1) cannot be an argument to the
> procedure 'c_loc' because it is not C interoperable
> Fatal Error: Error count reached limit of 25.
> make[1]: *** [xmltools.o] Error 1
> make[1]: Leaving directory `/home/proj/21/isuch/soft/QE/q-e-qe-6.8/upflib'
> make: *** [libupf] Error 1
>
> =============
>
> In version of gfortran is given as
>
> [isuch at delta-cluster upflib]$ gfortran -v
> Using built-in specs.
> Target: x86_64-redhat-linux
> Configured with: ../configure --prefix=/usr --mandir=/usr/share/man
> --infodir=/usr/share/info --with-bugurl=
> http://bugzilla.redhat.com/bugzilla --enable-bootstrap --enable-shared
> --enable-threads=posix --enable-checking=release --with-system-zlib
> --enable-__cxa_atexit --disable-libunwind-exceptions
> --enable-gnu-unique-object
> --enable-languages=c,c++,objc,obj-c++,java,fortran,ada
> --enable-java-awt=gtk --disable-dssi
> --with-java-home=/usr/lib/jvm/java-1.5.0-gcj-1.5.0.0/jre
> --enable-libgcj-multifile --enable-java-maintainer-mode
> --with-ecj-jar=/usr/share/java/eclipse-ecj.jar --disable-libjava-multilib
> --with-ppl --with-cloog --with-tune=generic --with-arch_32=i686
> --build=x86_64-redhat-linux
> Thread model: posix
> gcc version 4.4.6 20110731 (Red Hat 4.4.6-3) (GCC)
>
>
>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20210731/a94c22fb/attachment.html>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: make.inc
Type: application/octet-stream
Size: 6410 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20210731/a94c22fb/attachment.obj>