[gmx-users] I got error in gromacs-3.2.1 installation time

Mark Abraham Mark.Abraham at anu.edu.au
Fri Dec 1 10:08:16 CET 2006

ankit ashwinbhai patel wrote:
> Hello Friends,
> I am new to gromacs. I configure the gromacs than it did not give me 
> error but when i run make command that it gave me following error.
> mpicc -O6 -fomit-frame-pointer -finline-functions -Wall -Wno-unused 
> -funroll-all-loops -I/usr/include/libxml2 -o grompp topio.o toppush.o 
> topcat.o topshake.o convparm.o tomorse.o sorting.o splitter.o dum_parm.o 
> readir.o add_par.o topexcl.o toputil.o topdirs.o grompp.o  
> -L/home/sgeadmin/gromacs/gromacs-test/gromacs-3.2/fftw/lib 
> ../mdlib/.libs/libmd_mpi.a -L/usr/X11R6/lib ../gmxlib/.libs/libgmx_mpi.a 
> -lnsl 
> /home/sgeadmin/gromacs/gromacs-test/gromacs-3.2/fftw/lib/librfftw_mpi.a 
> /home/sgeadmin/gromacs/gromacs-test/gromacs-3.2/fftw/lib/libfftw_mpi.a 
> /home/sgeadmin/gromacs/gromacs-test/gromacs-3.2/fftw/lib/librfftw.a 
> /home/sgeadmin/gromacs/gromacs-test/gromacs-3.2/fftw/lib/libfftw.a -lX11 
> -lxml2 -lz -lpthread -lm
> /usr/bin/ld: skipping incompatible /usr/X11R6/lib/libX11.so when 
> searching for -lX11
> /usr/bin/ld: skipping incompatible /usr/X11R6/lib/libX11.a when 
> searching for -lX11
> /usr/bin/ld: cannot find -lX11
> collect2: ld returned 1 exit status
> mpicc: No such file or directory
> make[3]: *** [grompp] Error 1
> make[3]: Leaving directory 
> `/home/sgeadmin/gromacs/gromacs-test/gromacs-3.2/gromacs-3.2.1/src/kernel'
> make[2]: *** [all-recursive] Error 1
> make[2]: Leaving directory 
> `/home/sgeadmin/gromacs/gromacs-test/gromacs-3.2/gromacs-3.2.1/src'
> make[1]: *** [all] Error 2
> make[1]: Leaving directory 
> `/home/sgeadmin/gromacs/gromacs-test/gromacs-3.2/gromacs-3.2.1/src'
> make: *** [all-recursive] Error 1
> I think it gave me error for mpicc command but it's there in the path. 
> So please help me in this problem.
> Thanks in advance

You'll need to tell us some useful information, like the architecture, 
the OS, the compiler version, the MPI distribution, your configure 
command line (it's in config.log).

Oh, and start with the latest version of gromacs, not 3.2.1, especially 
if I psychically guess that this machine is a Mac.


More information about the gromacs.org_gmx-users mailing list