svn version of bader compilling failed.
Posted: Wed Jul 01, 2015 11:34 pm
Hi all,
I use the following command to obtain the svn version of bader:
svn co http://theory.cm.utexas.edu/svn/bader
And then compile it with the following command and meet errors as follow:
$ make -f makefile.lnx_ifort
ifort -O2 -check bounds -c kind_mod.f90
ifort -O2 -check bounds -c matrix_mod.f90
ifort -O2 -check bounds -c ions_mod.f90
ifort -O2 -check bounds -c options_mod.f90
ifort -O2 -check bounds -c charge_mod.f90
ifort -O2 -check bounds -c chgcar_mod.f90
chgcar_mod.f90(89): remark #8290: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+3'.
READ(100,'(3(2X,1F8.6))') ions%r_dir(i,:)
------------------------^
chgcar_mod.f90(175): remark #8290: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+3'.
WRITE(100,'(3(2X,1F8.6))') (ions%r_dir(i,:) , i=1,ions%nions)
-----------------------^
chgcar_mod.f90(178): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'.
WRITE(100,'(5(1X,E17.11))') (((chg%rho(n1,n2,n3), &
----------------------^
ifort -O2 -check bounds -c cube_mod.f90
ifort -O2 -check bounds -c io_mod.f90
ifort -O2 -check bounds -c bader_mod.f90
ifort -O2 -check bounds -c voronoi_mod.f90
ifort -O2 -check bounds -c critpoint_mod.f90
ifort -O2 -check bounds -c multipole_mod.f90
ifort -O2 -check bounds -c weight_mod.f90
ifort -O2 -check bounds -c main.f90
rm -f bader
ifort -static main.o -o bader kind_mod.o matrix_mod.o ions_mod.o options_mod.o charge_mod.o chgcar_mod.o cube_mod.o io_mod.o bader_mod.o voronoi_mod.o critpoint_mod.o multipole_mod.o weight_mod.o
main.o: In function `MAIN__':
main.f90:(.text+0xdc): undefined reference to `brute_force_'
make: *** [bader] Error 1
Any hints?
Regards
I use the following command to obtain the svn version of bader:
svn co http://theory.cm.utexas.edu/svn/bader
And then compile it with the following command and meet errors as follow:
$ make -f makefile.lnx_ifort
ifort -O2 -check bounds -c kind_mod.f90
ifort -O2 -check bounds -c matrix_mod.f90
ifort -O2 -check bounds -c ions_mod.f90
ifort -O2 -check bounds -c options_mod.f90
ifort -O2 -check bounds -c charge_mod.f90
ifort -O2 -check bounds -c chgcar_mod.f90
chgcar_mod.f90(89): remark #8290: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+3'.
READ(100,'(3(2X,1F8.6))') ions%r_dir(i,:)
------------------------^
chgcar_mod.f90(175): remark #8290: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+3'.
WRITE(100,'(3(2X,1F8.6))') (ions%r_dir(i,:) , i=1,ions%nions)
-----------------------^
chgcar_mod.f90(178): remark #8291: Recommended relationship between field width 'W' and the number of fractional digits 'D' in this edit descriptor is 'W>=D+7'.
WRITE(100,'(5(1X,E17.11))') (((chg%rho(n1,n2,n3), &
----------------------^
ifort -O2 -check bounds -c cube_mod.f90
ifort -O2 -check bounds -c io_mod.f90
ifort -O2 -check bounds -c bader_mod.f90
ifort -O2 -check bounds -c voronoi_mod.f90
ifort -O2 -check bounds -c critpoint_mod.f90
ifort -O2 -check bounds -c multipole_mod.f90
ifort -O2 -check bounds -c weight_mod.f90
ifort -O2 -check bounds -c main.f90
rm -f bader
ifort -static main.o -o bader kind_mod.o matrix_mod.o ions_mod.o options_mod.o charge_mod.o chgcar_mod.o cube_mod.o io_mod.o bader_mod.o voronoi_mod.o critpoint_mod.o multipole_mod.o weight_mod.o
main.o: In function `MAIN__':
main.f90:(.text+0xdc): undefined reference to `brute_force_'
make: *** [bader] Error 1
Any hints?
Regards