[Dock-fans] Problem with installation of dockv6 with zap library on x86_64 OPENSUSE 10.0

Kim Branson kim.branson at gmail.com
Thu Oct 19 16:02:37 PDT 2006


you need to build a 32 bit version of dock and grid to link with the  
libzap. So you need to pass the -m32 option to the compiler.

the easiest way around this is to make a separate config file, simply  
copy your existing one to something like config_dock.h

CC=          gcc
CXX=         g++
CFLAGS=      -DBUILD_DOCK_WITH_ZAP -I$(ZAP_HOME) -O2 -m32
FC=          g77
FFLAGS=      -O2 -fno-automatic -fno-second-underscore -m32
LIBS=        -lm -lpthread -L$(ZAP_HOME) -lOEZAP
LOAD=        g++
SFX=         .pbsa


the go to src/dock/
edit the Makefile to include the new config file.


include ../../install/config_dock.h
#include ../../install/config.h

You need to do the same for grid.

then it should build.  The rest of the code is fine as 64 bit.


cheers

Kim


On Oct 19, 2006, at 3:53 PM, Cenk Andac wrote:

>
> Dear dock community,
>
> I am having difficulties trying to incorporate libOEZAP.a library   
> in  dock v6 during installation on my x86_64 OPENSUSE 10.0 system.  
> I know that I setup MPICH_HOME and ZAP_HOME environments correctly  
> and set a proper config.h file. However, each time I try to install  
> dock 6, I get the following error message :
>
> make[1]: Leaving directory `/home/jenk/dock6/src/dock/nab'
> /usr/root/mpich2-1.0.3/bin/mpicxx -DBUILD_DOCK_WITH_MPI - 
> DMPICH_IGNORE_CXX_SEEK -I/usr/root/mpich2-1.0.3/src/include - 
> DBUILD_DOCK_WITH_ZAP -I/home/jenk/dock6/zap -O2 -o dock6.pbsa_mpi  
> amber_typer.o base_mpi.o base_score.o conf_gen.o dock.o dockmol.o  
> library_file.o master_score.o orient.o score.o simplex.o utils.o  
> score_solvent.o score_amber.o sasa.o score_chemgrid.o nab/nab.a -lm  
> -L/home/jenk/dock6/zap -lOEZAP
> /usr/lib64/gcc/x86_64-suse-linux/4.0.2/../../../../x86_64-suse- 
> linux/bin/ld: skipping incompatible /home/jenk/dock6/zap/libOEZAP.a  
> when searching for -lOEZAP
> /usr/lib64/gcc/x86_64-suse-linux/4.0.2/../../../../x86_64-suse- 
> linux/bin/ld: cannot find -lOEZAP
> collect2: ld returned 1 exit status
> make: *** [dock6.pbsa_mpi] Error 1
>
>
> It sounds like the libOEZAP.a library is not compatible with my  
> x86_64 linux system. If this is the case is there a x86_64 version  
> of the libOEZAP.a library? or would  there be any workaround to  
> make the current version of the libOEZAP.a library fit my system?
>
> best regards,
>
> jenk.
>
> Get your own web address for just $1.99/1st yr. We'll help. Yahoo!  
> Small Business.
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Dr Kim Branson, PhD
Stanford University, Stanford, CA, USA
Department of Chemistry, Group of Prof. Dr. V. Pande
postdoctoral researcher: Folding at home - distributed computing
Clark Center, 94305-5080 Stanford, CA, phone: (650) 723 1817
email kim.branson at stanford.edu

  "Reminds me of the time I went to Africa, someone forgot the  
corkscrew and we had to live on food and water for days."
-- W.C. Fields 



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