Dear all,
I am trying to install gromacs on my Mac leopard by following the installation
instructions on this page:
http://www.gromacs.org/index.php?title=Download_%26_Installation/Installation_Instructions/Quick_and_Dirty_Installation
setenv SOFT $HOME/software
setenv CPPFLAGS "-I$SOFT/include"
setenv LDFLAGS "-L$SOFT/lib"
setenv NCPU 4
setenv PATH "$PATH":$SOFT/bin
cd openmpi-1.2.8; ./configure --prefix=$SOFT; make -j $NCPU; make install
cd ../fftw-3.1.3; ./configure --prefix=$SOFT --enable-float; make -j $NCPU;
make install
cd ../gsl-1.11; ./configure --prefix=$SOFT; make -j $NCPU; make install
cd ../gromacs-4.0.5; ./configure --prefix=$SOFT --with-gsl; make -j $NCPU; make
install
make distclean; ./configure --prefix=$SOFT --program-suffix=_mpi --enable-mpi
--with-gsl; make mdrun -j $NCPU; make install-mdrun
cd ../openmotif-2.3.1; ./configure --prefix=$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
source $SOFT/bin/GMXRC
I almost compile all the packages without any problems, execpt gromas:
[Macintosh:~/Desktop/MDsimulationsgromacs/gromacs-4.0.5] alikachmar%
./configure --prefix=$SOFT --program-suffix=_mpi --enable-mpi
--with-gslchecking build system type... i386-apple-darwin9.8.0checking host
system type... i386-apple-darwin9.8.0checking for a BSD-compatible install...
/usr/bin/install -cchecking whether build environment is sane... yeschecking
for a thread-safe mkdir -p... config/install-sh -c -dchecking for gawk...
nochecking for mawk... nochecking for nawk... nochecking for awk... awkchecking
whether make sets $(MAKE)... yeschecking how to create a ustar tar archive...
gnutarchecking for cc... ccchecking for C compiler default output file name...
a.outchecking whether the C compiler works... yeschecking whether we are cross
compiling... nochecking for suffix of executables... checking for suffix of
object files... ochecking whether we are using the GNU C compiler...
yeschecking whether cc accepts -g... yeschecking for cc option to accept ISO
C89... none neededchecking for style of include used by make... GNUchecking
dependency style of cc... gcc3checking dependency style of cc... gcc3checking
for mpxlc... nochecking for mpicc... mpiccchecking whether the MPI cc command
works... configure: error: Cannot compile and link MPI code with
mpicc[Macintosh:~/Desktop/MDsimulationsgromacs/gromacs-4.0.5] alikachmar% make
mdrun -j $NCPUmake: *** No rule to make target `mdrun'.
Stop.[Macintosh:~/Desktop/MDsimulationsgromacs/gromacs-4.0.5] alikachmar% make
mdrunmake: *** No rule to make target `mdrun'.
Stop.[Macintosh:~/Desktop/MDsimulationsgromacs/gromacs-4.0.5] alikachmar%
install-mdruninstall-mdrun: Command not found.
Could you please help me to figure out what's wrong in this compilation?
Thanks in advance.
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