Hey all,
I wanted to install gromacs on one node of a cluster. Firstly I
downloaded all needed packages to /home/william/software, then unpack all of
them under this folder.
Then, I followed the " Quick and Dirty Installation" instruction
using following commands:
export SOFT=$HOME/software
export CPPFLAGS="-I$SOFT/include"
export LDFLAGS="-L$SOFT/lib"
export NCPU=2
export PATH="$PATH":$SOFT/bin
cd ../fftw-3.2.2; ./configure --prefix=$SOFT --enable-float && make -j
$NCPU && make install
cd ../gsl-1.11; ./configure --prefix=$SOFT && make -j $NCPU && make install
cd ../gromacs-4.0.2; ./configure --prefix=$SOFT --enable-mpi
--with-gsl && make -j $NCPU && make install
cd ../openmotif-2.3.1; ./configure --prefix=$SOFT && make -j $NCPU &&
make install
cd ../grace-5.1.22; ./configure --prefix=$SOFT && make -j $NCPU &&
make install && ln -s $SOFT/grace/bin/xmgrace $SOFT/bin/xmgrace
. $SOFT/bin/GMXRC
The problem occurred when I configured gromacs, the error
information's as follows:
/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
make[3]: *** [mdrun] Error 1
make[3]: *** Waiting for unfinished jobs....
/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
make[3]: *** [grompp] Error 1
make[3]: Leaving directory `/home/xpwei/software/gromacs-4.0.2/src/kernel'
make[2]: *** [all-recursive] Error 1
make[2]: Leaving directory `/home/xpwei/software/gromacs-4.0.2/src'
make[1]: *** [all] Error 2
make[1]: Leaving directory `/home/xpwei/software/gromacs-4.0.2/src'
make: *** [all-recursive] Error 1
I do want to install gromacs in /home/william/software, and I
havn't root permission. I think the reason of failoue maybe because
environment virieable setting, but I can't figure it out after some
trying. Would anyone please give me some help, I really appreciate.
Thanks.
Best regards,
william
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