[Dock-fans] dock installation

Scott Brozell sbrozell at scripps.edu
Fri Feb 22 14:37:57 PST 2008


Hi,

On Fri, 22 Feb 2008, Syed Tarique Moin wrote:

>  I want to install dock6.1, I have the intel fortran
>  compile and i am using suse 10.2 64 bit. 

The simple approach is to install dock using g77.
Unfortunately, this is not as easy as it should be because
g77 is no longer distributed by default by most OSs.

>  I made change in the gnu script at this stage 
>  FC = ifort, 
>  then i run ./configure gnu, then i give the command 
>  make all and the output is attached here.

ifort is a poor choice for one unexperienced with unix.
Try gfortran instead; this is probably distributed with suse,
should be easy to install if its not, and accepts most
of g77's options.

>  Kindly give me suggestion.

Read this classic book or its equivalent to learn unix:

http://cm.bell-labs.com/cm/cs/upe/

>   > > Starting installation of DOCK v6.1
> > ifort -O2 -fno-automatic -fno-second-underscore -o showbox showbox.o
> > ifort: command line warning #10006: ignoring unknown
> > option '-fno-automatic'

This is a big clue that merely changing the compiler is insufficent.
One also needs to change FFLAGS.

> > grid.o: In function `main':
> > grid.c:(.text+0x70): multiple definition of `main'
> > ld: Warning: size of symbol `main' changed from 56
> > in /opt/intel/fce/10.1.012/lib/for_main.o to 1702 in grid.o
> > /opt/intel/fce/10.1.012/lib/for_main.o: In function `main':
> > undefined reference to `MAIN__'
> > make[2]: *** [grid] Error 1

This is already a faq:
http://dock.compbio.ucsf.edu/DOCK_6/faq.htm

Surprisingly, searching the dock fans archives does not find
a post dealing with this issue.  But now it will.
http://dock.compbio.ucsf.edu/DOCK_6/index.htm

Scott




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