<span style="font-family: arial,helvetica,sans-serif;">Hey all,</span><br style="font-family: arial,helvetica,sans-serif;"><span style="font-family: arial,helvetica,sans-serif;"> I wanted to install g<font size="2">romacs on one no</font>de of a cluster. Firstly I downloaded all needed packages to </span><span style="background-color: rgb(255, 255, 51); font-family: arial,helvetica,sans-serif;">/home/william/software</span><span style="font-family: arial,helvetica,sans-serif;">, then unpack all of them under this folder.</span><br style="font-family: arial,helvetica,sans-serif;">
<span style="font-family: arial,helvetica,sans-serif;"> Then, I followed the " Quick and Dirty Installation" instruction using following commands:</span><br> <br><pre><font size="4"><span style="font-family: times new roman,serif;">export SOFT=$HOME/software</span><br style="font-family: times new roman,serif;">
<span style="font-family: times new roman,serif;">export CPPFLAGS="-I$SOFT/include"</span><br style="font-family: times new roman,serif;"><span style="font-family: times new roman,serif;">export LDFLAGS="-L$SOFT/lib"</span><br style="font-family: times new roman,serif;">
<span style="font-family: times new roman,serif;">export NCPU=2</span><br style="font-family: times new roman,serif;"><span style="font-family: times new roman,serif;">export PATH="$PATH":$SOFT/bin</span><br style="font-family: times new roman,serif;">
<span style="font-family: times new roman,serif;">cd ../fftw-3.2.2; ./configure --prefix=$SOFT --enable-float && make -j $NCPU && make install</span><br style="font-family: times new roman,serif;"><span style="font-family: times new roman,serif;">cd ../gsl-1.11; ./configure --prefix=$SOFT && make -j $NCPU && make install</span><br style="font-family: times new roman,serif;">
<span style="font-family: times new roman,serif;">cd ../gromacs-4.0.2; ./configure --prefix=$SOFT --enable-mpi --with-gsl && make -j $NCPU && make install</span><br style="font-family: times new roman,serif;">
<span style="font-family: times new roman,serif;">cd ../openmotif-2.3.1; ./configure --prefix=$SOFT && make -j $NCPU && make install</span><br style="font-family: times new roman,serif;"><span style="font-family: times new roman,serif;">cd ../grace-5.1.22; ./configure --prefix=$SOFT && make -j $NCPU && make install && ln -s $SOFT/grace/bin/xmgrace $SOFT/bin/xmgrace</span><br style="font-family: times new roman,serif;">
<span style="font-family: times new roman,serif;">. $SOFT/bin/GMXRC</span></font><br><br><br style="font-family: arial,helvetica,sans-serif;"><span style="font-family: arial,helvetica,sans-serif;"> <font size="2"> The problem occurred when I configured gromacs, the error information's as follows:</font></span><br>
<br style="font-family: arial,helvetica,sans-serif;"><font size="4"><span style="font-family: times new roman,serif;">/usr/bin/ld: skipping incompatible /usr/X11R6/lib/libX11.so when searching for -lX11</span><br style="font-family: times new roman,serif;">
<span style="font-family: times new roman,serif;">/usr/bin/ld: skipping incompatible /usr/X11R6/lib/libX11.a when searching for -lX11</span><br style="font-family: times new roman,serif;"><span style="font-family: times new roman,serif;">/usr/bin/ld: cannot find -lX11</span><br style="font-family: times new roman,serif;">
<span style="font-family: times new roman,serif;">collect2: ld returned 1 exit status</span><br style="font-family: times new roman,serif;"><span style="font-family: times new roman,serif;">make[3]: *** [mdrun] Error 1</span><br style="font-family: times new roman,serif;">
<span style="font-family: times new roman,serif;">make[3]: *** Waiting for unfinished jobs....</span><br style="font-family: times new roman,serif;"><span style="font-family: times new roman,serif;">/usr/bin/ld: skipping incompatible /usr/X11R6/lib/libX11.so when searching for -lX11</span><br style="font-family: times new roman,serif;">
<span style="font-family: times new roman,serif;">/usr/bin/ld: skipping incompatible /usr/X11R6/lib/libX11.a when searching for -lX11</span><br style="font-family: times new roman,serif;"><span style="font-family: times new roman,serif;">/usr/bin/ld: cannot find -lX11</span><br style="font-family: times new roman,serif;">
<span style="font-family: times new roman,serif;">collect2: ld returned 1 exit status</span><br style="font-family: times new roman,serif;"><span style="font-family: times new roman,serif;">make[3]: *** [grompp] Error 1</span><br style="font-family: times new roman,serif;">
<span style="font-family: times new roman,serif;">make[3]: Leaving directory `/home/xpwei/software/gromacs-4.0.2/src/kernel'</span><br style="font-family: times new roman,serif;"><span style="font-family: times new roman,serif;">make[2]: *** [all-recursive] Error 1</span><br style="font-family: times new roman,serif;">
<span style="font-family: times new roman,serif;">make[2]: Leaving directory `/home/xpwei/software/gromacs-4.0.2/src'</span><br style="font-family: times new roman,serif;"><span style="font-family: times new roman,serif;">make[1]: *** [all] Error 2</span><br style="font-family: times new roman,serif;">
<span style="font-family: times new roman,serif;">make[1]: Leaving directory `/home/xpwei/software/gromacs-4.0.2/src'</span><br style="font-family: times new roman,serif;"><span style="font-family: times new roman,serif;">make: *** [all-recursive] Error 1</span></font><br>
<br><br><br><font size="2"><span style="font-family: arial,helvetica,sans-serif;"> </span></font><font style="font-family: arial,helvetica,sans-serif;" size="2">I do want to install gromacs in <span style="background-color: rgb(255, 255, 51);">/home/william/software</span></font><span style="font-family: arial,helvetica,sans-serif;"><font style="font-family: arial,helvetica,sans-serif;" size="2">, 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.<br>
<br><br>Best regards,<br>william</font><br><br></span><br><br><br> <br></pre>