[QE-users] compilation errors @ QE 6.8 version

[venky ch]

Dear Takahiro Chiba,

Thanks for your email. I have removed the libxc path. But as my MKL doesn't
have a fftw library, I have to use fftw libraries from my local
fftw_folder.

Although, it seems that the errors before are eliminated, another error
came out after the compilation as shown below. I have attached the
"make.inc" for your reference.


==========

make[1]: Entering directory `/home/proj/21/isuch/soft/QE/q-e-qe-6.8/upflib'
mpiifort -O2 -assume byterecl -g -traceback -openmp -nomodule -fpp -D__FFTW
-D__MPI -D__SCALAPACK   -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/home/proj/21/isuch/soft/fftw/include
-I/opt/intel/composer_xe_2013.1.117/mkl/include
-I/home/proj/21/isuch/soft/QE/q-e-qe-6.8/Modules
-I/home/proj/21/isuch/soft/QE/q-e-qe-6.8/FoX/finclude -I../UtilXlib
-I../external/devxlib/src -c init_us_2_base_gpu.f90
init_us_2_base_gpu.f90(24): error #7002: Error in opening the compiled
module file.  Check INCLUDE paths.   [DEVICE_FBUFF_M]
  USE device_fbuff_m,   ONLY : dev_buf
------^
init_us_2_base_gpu.f90(95): error #6406: Conflicting attributes or multiple
declaration of name.   [DEV_BUF]
  CALL dev_buf%lock_buffer(vkb1_d, (/ npw_, nhm /), istat(1) )

.
.
.
.
.

init_us_2_base_gpu.f90(24): error #6580: Name in only-list does not exist.
  [DEV_BUF]
  USE device_fbuff_m,   ONLY : dev_buf
-------------------------------^
compilation aborted for init_us_2_base_gpu.f90 (code 1)
make[1]: *** [init_us_2_base_gpu.o] Error 1
make[1]: Leaving directory `/home/proj/21/isuch/soft/QE/q-e-qe-6.8/upflib'
make: *** [libupf] Error 1

=============

thanks........



On Mon, Aug 2, 2021 at 1:52 PM Takahiro Chiba <
takahiro_chiba at eis.hokudai.ac.jp> wrote:

> Dear Venkatesh,
>
> First of all, I am not a professor, just a graduate school student.
>
> According to errors, I think it is related to libxc. I cannot advise
> you on this because I don't know much. I recommend that you should
> firstly compile with minimal dependencies, which means, how about with
> neither libxc nor fftw3? As far as I know, you don't need to link
> FFTW3 because MKL offers FFT(-D__DFTI).
>
> P.S.
> Please disclose your academic affiliation. Here, almost everyone does.
>
> ---Sender---
> Takahiro Chiba
> 1st-year student at grad. school of chem. sci. and eng., Hokkaido Univ.
> Expected graduation date: Mar. 2023
> takahiro_chiba at eis.hokudai.ac.jp
> -----
> _______________________________________________
> Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
> users mailing list users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users
>


-- 
Venkatesh
Postdoctoral Fellow,
Department of Instrumentation and Applied Physics
IISc Bangalore, India
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