This is Hirotoshi Mori at Ochanomizu University, Japan.
I'm a quite new user of DALTON.
I just finished downloading the latest DALTON2016 as a tar.gz file.
I expanded the compressed source codes, and tried to compile them by following installation instruction.
The command I used was shown below.
I could start my compilation process properly, however, I met the following error in the end of the compilation.
Code: Select all
[ 83%] Building Fortran object CMakeFiles/dalton.dir/DALTON/sirius/sir_mep.F.o [ 84%] Building Fortran object CMakeFiles/dalton.dir/DALTON/sirius/sir_qfit.F.o /home/mori/src/dalton-release-2016-130ffaa0613bb3af6cac766fc8183d6df7d68917/DALTON/sirius/sir_qfit.F:81.32: use qfit_variables, only : qfit_multipole_rank 1 Error: Symbol 'qfit_multipole_rank' referenced at (1) not found in module 'qfit_variables' /home/mori/src/dalton-release-2016-130ffaa0613bb3af6cac766fc8183d6df7d68917/DALTON/sirius/sir_qfit.F:100.72: call qfit_get_results( charges, dipoles ) 1 Error: More actual than formal arguments in procedure call at (1) make: *** [CMakeFiles/dalton.dir/DALTON/sirius/sir_qfit.F.o] Error 1 make: *** [CMakeFiles/dalton.dir/all] Error 2 make: *** [all] Error 2
It seems that I can not handle this problem by myself.
Could you please let me know how to overcome this problem?
with the best regards,
Hirotoshi MORI, Ph.D.
Faculty of Core Research, Natural Science Division
Department of Chemistry & Biochemistry
2-1-1 Otsuka, Bunkyo-ku, Tokyo 112-8610, Japan
JST PRESTO (Sakigake) Project Researcher
Advanced materials informatics through comprehensive integration
among theoretical, experimental, computational and data-centric sciences