Bader Installation Problem

Bader charge density analysis

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shkwon
Posts: 2
Joined: Fri Jun 16, 2023 5:23 am

Bader Installation Problem

Post by shkwon »

Hello,

I am new to Bader charge analysis and I am trying to install Bader in Linux.

So, I downloaded 'bader.tar.gz' and 'bader_lnx_64.tar.gz'.

And then, I unzipped those and typed 'chmod +x bader'

and also, 'cd bader', 'cp makefile.lnx_ifort makefile', 'make' in a row.

Then, this error code has appeared.

"
ifort -O2 -c kind_mod.f90
ifort -O2 -c matrix_mod.f90
ifort -O2 -c ions_mod.f90
ifort -O2 -c options_mod.f90
ifort -O2 -c charge_mod.f90
ifort -O2 -c chgcar_mod.f90
chgcar_mod.f90(81): 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(157): 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(160): 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 -c cube_mod.f90
ifort -O2 -c io_mod.f90
ifort -O2 -c bader_mod.f90
ifort -O2 -c voronoi_mod.f90
ifort -O2 -c multipole_mod.f90
ifort -O2 -c weight_mod.f90
ifort -O2 -c -o dsyevj3_mod.o dsyevj3_mod.f
ifort -O2 -c critpoint_mod.f90
ifort -O2 -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 multipole_mod.o weight_mod.o dsyevj3_mod.o critpoint_mod.o
ld: cannot find -lm
ld: cannot find -lpthread
ld: cannot find -lc
ld: cannot find -ldl
ld: cannot find -lc
make: *** [bader] Error 1
"

Also, when I type 'bader' in Linux command,

'bash: bader: command not found...' appears.

What would be the problem?

Thank you.
graeme
Site Admin
Posts: 2256
Joined: Tue Apr 26, 2005 4:25 am
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Re: Bader Installation Problem

Post by graeme »

It is not building the binary because it can't find the associated libraries at the linking stage. Try removing the -static from the makefile; the static libraries might not be installed.
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