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

[Mohad Abbasnejad]

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
---------------------------------------------------------
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