On Wed, 21 May 2008, Yu Xie wrote: YX> Dear PWSCF users,
dear yu, without looking much into details i have three suggestions: 1) you should update to the brand new and much improved version 4.0 2) you should see whether your compiler is up-to-date. that code has been compiled successfully by a large number of people with quite diverse compilers, so it is likely that your compiler is at fault. 3) you should respect the policy of this mailing list to state your name and affiliation. cheers, axel. p.s.: they don't call it "HP-SUX" for nothing ... ;-) YX> YX> I'm trying to install the pwscf 3.2.3 on a HP Unix machine. The YX> compiler is f90. And I got some problems with compute_fes_grads.F90. YX> The error message is like below: YX> YX> cpp -P -traditional -D__FFTW -D__USE_INTERNAL_FFTW -D__MPI - YX> D__PARA -I../include compute_fes_grads.f90 -o compute_fes_grads.F90 YX> mpif90 -O -D__FFTW -D__USE_INTERNAL_FFTW -D__MPI -D__PARA - YX> I../include -I./ -I../Modules -I../iotk/src -I../PW -I../PH -I../ YX> CPV -c compute_fes_grads.F90 -o compute_fes_grads.o YX> /var/tmp//fciBAAa21392.F90 YX> external subroutine COMPUTE_FES_GRADS YX> internal subroutine WRITE_RESTART YX> internal function INTERRUPT_RUN YX> Error 1055 : In program unit COMPUTE_FES_GRADS variable STARTINGPOT YX> has not been given a type YX> Error 1055 : In program unit COMPUTE_FES_GRADS variable STARTINGWFC YX> has not been given a type YX> external subroutine METADYN YX> internal subroutine FREE_ENERGY_GRAD YX> internal subroutine MOVE_TO_TARGET YX> dirname = TRIM( tmp_dir ) // TRIM( prefix ) // '.save' YX> ^ YX> Warning 441 at (502:compute_fes_grads.F90) : Character string YX> truncated to length 256 on assignment YX> external subroutine RESET_INIT_MAG YX> external subroutine ELECTRONIC_SCF YX> YX> 2 Errors YX> f90: error 213: Errors detected. YX> *** Error exit code 1 YX> YX> Stop. YX> *** Error exit code 1 YX> YX> Stop. YX> YX> How can I correct this error? YX> YX> Thanks very much! YX> YX> With mu best regards, YX> YX> Yu YX> _______________________________________________ YX> Pw_forum mailing list YX> Pw_forum at pwscf.org YX> http://www.democritos.it/mailman/listinfo/pw_forum YX> -- ======================================================================= Axel Kohlmeyer akohlmey at cmm.chem.upenn.edu http://www.cmm.upenn.edu Center for Molecular Modeling -- University of Pennsylvania Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323 tel: 1-215-898-1582, fax: 1-215-573-6233, office-tel: 1-215-898-5425 ======================================================================= If you make something idiot-proof, the universe creates a better idiot.
