[QE-users] error during the new version (6.6) of Quantum ESSPRESSO instalation

[Paolo Giannozzi]

I have been using the same version of the intel compiler + mpif90 until a
few days ago (I just upgraded to 2020.2.254) with no problems.
Intel compiler + mpiifort also works, when properly installed. There is a
report of the same error, see my comments at the end of
https://gitlab.com/QEF/q-e/-/issues/208

Paolo

On Sun, Aug 30, 2020 at 4:39 PM Mohad Abbasnejad <
mohaddeseh.abbasnejad at gmail.com> wrote:

> Dear Mohammad,
>
> Thanks alot.
> I could compile it by setting the option to "mpif90".
> However, after using the "make all" command, I received the following
> message and the program stopped working. Any help would be appreciated.
>
> mpif90 -O3 -g -cpp -D__DFTI -D__MPI -D__SCALAPACK -Duse_beef
> -I/opt/Source/q-e-qe-6.6//include -I/opt/Source/q-e-qe-6.6//FoX/finclude
> -I/opt/Source/q-e-qe-6.6//S3DE/iotk/include/
> -I/opt/intel/compilers_and_libraries_2020.1.217/linux/mkl/include
> -I/opt/Source/q-e-qe-6.6//FoX/finclude -c emend_upf.f90
> emend_upf.f90:29.16:
>
>   OPEN (NEWUNIT = iun_source, FILE = TRIM(filename), STATUS = 'old', &
>                 1
> Error: Syntax error in OPEN statement at (1)
> emend_upf.f90:44.16:
>
>   OPEN (NEWUNIT = iun_dest, FILE = TRIM(tempname), STATUS = 'unknown', &
>                 1
> Error: Syntax error in OPEN statement at (1)
> make[1]: *** [emend_upf.o] Error 1
> make[1]: Leaving directory `/opt/Source/q-e-qe-6.6/upflib'
> make: *** [libupf] Error 1
> (base) [root at localhost q-e-qe-6.6]#
>
> Thanks
>
> Bests,
> Mohaddeseh
>
> On Sun, Aug 30, 2020 at 4:55 PM Mohammad Moaddeli <
> mohammad.moaddeli at gmail.com> wrote:
>
>> Dear  Dr. Abbasnejad,
>>
>> Try this:
>>
>> ./configure FC=mpiifort --with-scalapack=intel CC=mpiicc MPIF90=mpiifort
>> F90=mpiifort F77=mpiifort
>>
>> Best,
>>
>> Mohammad
>>
>> Shiraz Uni
>>
>> On Sun, Aug 30, 2020 at 2:31 PM Mohad Abbasnejad <
>> mohaddeseh.abbasnejad at gmail.com> wrote:
>>
>>> Dear QE users,
>>>
>>> I am trying to install a new version of Quantum ESPRESSO (6.6). However,
>>> I receive the following error message.  Any help would be appreciated.
>>>
>>> (base) [Mohaddeseh at localhost q-e-qe-6.6]$ ./configure
>>> checking build system type... x86_64-pc-linux-gnu
>>> checking ARCH... x86_64
>>> checking setting AR... ... ar
>>> checking setting ARFLAGS... ... ruv
>>> checking for gfortran... gfortran
>>> checking whether the Fortran compiler works... yes
>>> checking for Fortran compiler default output file name... a.out
>>> checking for suffix of executables...
>>> checking whether we are cross compiling... no
>>> checking for suffix of object files... o
>>> checking whether we are using the GNU Fortran compiler... yes
>>> checking whether gfortran accepts -g... yes
>>> checking for mpiifort... mpiifort
>>> checking whether we are using the GNU Fortran compiler... no
>>> checking whether mpiifort accepts -g... no
>>> checking version of mpiifort... unknown, assuming gfortran
>>> checking for Fortran flag to compile .f90 files... unknown
>>> configure: error: Fortran could not compile .f90 files
>>>
>>> The version of mpiifort is as following:
>>>
>>> (base) [Mohaddeseh at localhost q-e-qe-6.6]$ which mpiifort
>>>
>>> /opt/intel/compilers_and_libraries_2020.1.217/linux/mpi/intel64/bin/mpiifort
>>>
>>> Thanks in advance.
>>>
>>> Regards,
>>> Mohaddeseh
>>>
>>>
>>>
>>> --
>>> ---------------------------------------------------------
>>> Mohaddeseh Abbasnejad,
>>> Assistant Professor of Physics,
>>> Faculty of Physics,
>>> Shahid Bahonar University of Kerman,
>>> Kerman, Iran
>>> P.O. Box 76169-133
>>> Tel: +98 34 31322199
>>> Fax: +98 34 33257434
>>> Cellphone: +98 917 731 7514
>>> E-Mail:     mohaddeseh.abbasnejad at gmail.com
>>> Website:  academicstaff.uk.ac.ir/moabbasnejad
>>> ---------------------------------------------------------
>>>
>>> _______________________________________________
>>> Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso
>>> )
>>> users mailing list users at lists.quantum-espresso.org
>>> https://lists.quantum-espresso.org/mailman/listinfo/users
>>
>> _______________________________________________
>> Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso)
>> users mailing list users at lists.quantum-espresso.org
>> https://lists.quantum-espresso.org/mailman/listinfo/users
>
>
>
> --
> ---------------------------------------------------------
> Mohaddeseh Abbasnejad,
> Assistant Professor of Physics,
> Faculty of Physics,
> Shahid Bahonar University of Kerman,
> Kerman, Iran
> P.O. Box 76169-133
> Tel: +98 34 31322199
> Fax: +98 34 33257434
> Cellphone: +98 917 731 7514
> E-Mail:     mohaddeseh.abbasnejad at gmail.com
> Website:  academicstaff.uk.ac.ir/moabbasnejad
> ---------------------------------------------------------
>
> _______________________________________________
> Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso)
> users mailing list users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users



-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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