#This is a protocol how I managed to get gromacs 3.1.4 compiled
#on a SunFire 6800 (24x 900 MHz UltraSPARC-III) compute server
#running Solaris 9.
#The Sun mpi libs and bins are used as installed on the system 
#(here /opt/SUNWhpc)
#It might be possible to boost (esp. mpi) performance some more
#by optimizing the compiler options, but I was just happy
#to get it running.

#1. unpack the sources for fftw and gromacs

#2. install fftw
#cd to the fftw dir do:

host> export MPICC=mpcc

host> export MPILIBS=-L/opt/SUNWhpc/lib

host> ./configure --enable-float --enable-type-prefix
--prefix=/some/place/where/you/can/write/fftw/ --enable-mpi

#Check output for errors

host> export CFLAGS="-fast -xtarget=ultra3 -xarch=v8plusb"

host> gmake -j 8

host> make install

#fftw-intallation complete if no errors
#you can now proceed to compile the double-version of fftw
#if you what to
#check the general gmx installation pages about that

#3. install gromacs
#cd to the gromacs dir:

host> export CPPFLAGS=-I/path/to/fftw/include

host> export LDFLAGS=-L/path/to/fftw/lib

host> ./configure --prefix=/some/place/where/you/can/write/gmx --enable-shared

host> make -e

host> make install

#Now the tools are installed as non-mpi programms
#mpi is only needed for mdrun:

host> make distclean

host> export LIBS=-lmpi 
host> export CPPFLAGS="-I/opt/SUNWhpc/include -I/path/to/fftw/include" 
host> export CFLAGS="-fast -xtarget=ultra3 -xarch=v8plusb" 
host> export LDFLAGS="-fast -xtarget=ultra3 -xarch=v8plusb \
		-L/opt/SUNWhpc/lib -R/opt/SUNWhpc/lib \
		-L/path/to/fftw/lib -R/path/to/fftw" 
host> ./configure --prefix=/some/place/where/you/can/write/gmx \ 
		--enable-shared --enable-mpi --program-suffix=_mpi

host> gmake -j 8 mdrun
 
host> make install-mdrun

#Ch. Freudenberger 10/02