[Pw_forum] compilation aborted for realus.f90

ye ji silentmlight at gmail.com
Mon Nov 2 04:34:21 CET 2015


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
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