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 <[email protected]> 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 > [email protected] > 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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