[Pw_forum] compilation aborted for realus.f90

[Paolo Giannozzi]

Compiler version? (very) old versions of the Intel and gfortran compilers
may not be able to compile recent versions of QE.

Paolo

On Mon, Nov 2, 2015 at 4:34 AM, ye ji <silentmlight at gmail.com> wrote:

> Hello,
>
> I am a newbie in DFT calculation and I am trying to compile Espresso 5.2.1
> on our cluster. ./configure runs smoothly but some error occurs when make.
> like this...
>
>     mpif90 -O2 -assume byterecl -g -traceback -nomodule -fpp -D__INTEL
> -D__FFTW -D__MPI -D__PARA -D__SCALAPACK    -I../../iotk/src -I../../Modules
> -c add_vhub_to_deeq.f90
> mpif90 -O2 -assume byterecl -g -traceback -nomodule -fpp -D__INTEL
> -D__FFTW -D__MPI -D__PARA -D__SCALAPACK    -I../../iotk/src -I../../Modules
> -c realus.f90
> fortcom: Error: realus.f90, line 63: This entity cannot be PUBLIC since
> its derived type is PRIVATE.   [TABP]
>   TYPE(realsp_augmentation),POINTER :: tabp(:) => null()
> ---------------------------------------^
> fortcom: Error: realus.f90, line 65: This entity cannot be PUBLIC since
> its derived type is PRIVATE.   [TABS]
>   TYPE(realsp_augmentation),POINTER :: tabs(:) => null()
> ---------------------------------------^
> fortcom: Error: realus.f90, line 204: This procedure cannot be PUBLIC
> since it has argument(s) whose derived type(s) are PRIVATE.   [TABP]
>     SUBROUTINE qpointlist(dfft, tabp)
> --------------------------------^
> fortcom: Error: realus.f90, line 391: A pointer dummy argument with the
> INTENT(IN) attribute shall not appear as an actual argument if the
> associated dummy argument has the INTENT(OUT) or INTENT(INOUT) attribute.
> [TABP]
>          CALL real_space_q( nt, ia, mbia, tabp )
> ------------------------------------------^
> compilation aborted for realus.f90 (code 1)
> make[2]: *** [realus.o] 错误 1   (错误 is error in Chinese)
> make[2]: Leaving directory `/home/jiye/QE/PW/src'
> make[1]: *** [pw] 错误 1
> make[1]: Leaving directory `/home/jiye/QE/PW'
> make: *** [pw] 错误 1
>
> I' ve also tried several other versions, only 4.1.3 could  make
> successfully with "--disable-shared", however, pw.x doesn't work for all
> examples. The math library is intel MKL and I've tried both ifort and
> gfortran as compiler and -O0 optimize level. (I've searched the archive
> to find solutions and tried to use internal libraries yet not helpful.)
>
> Please see my make.sys file for details. I would appreciate any help.
>
> Best,
>
> Ye Ji
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>



-- 
Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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