MPICH2

[san@locuzcluster mpich2-1.0.7]$ ./configure --help

[san@locuzcluster mpich2-1.0.7]$ export CC=`which gcc`

[san@locuzcluster mpich2-1.0.7]$ export CXX=`which g++`

[san@locuzcluster mpich2-1.0.7]$ export F77=`which gfortarn`

[san@locuzcluster mpich2-1.0.7]$ export F90=`which gfortran`

[san@locuzcluster mpich2-1.0.7]$ export CFLAGS=-O3 

[san@locuzcluster mpich2-1.0.7]$ export FFLAGS=-O3  

[san@locuzcluster mpich2-1.0.7]$ ./configure --prefix=/home/san/PERF_TEST/mpich2 | tee config_out

[san@locuzcluster mpich2-1.0.7]$ make | tee make_out


OPENMPI

[san@locuzcluster openmpi-1.2.7]$ export FC=`which gfortran`

[san@locuzcluster openmpi-1.2.7]$ ./configure --prefix=/home/san/PERF_TEST/openmpi | tee config_out

[san@locuzcluster openmpi-1.2.7]$ make | tee make_out

[san@locuzcluster openmpi-1.2.7]$ make install | tee install_out




FFTW

$ export CC=`which gcc`

$ export CXX=`which g++`

$ export F77=`which gfortran`

$ export CFLAGS=-O3

$ export FFLAGS=-O3



GROMACS

With MPICH2

$ export CC=`which gcc`

$ export CXX=`which g++`

$ export F77=`which gfortran`

$ export CFLAGS="-I/home/san/PERF_TEST/fftw/include -O3"

$ export LDFLAGS="-L/home/san/PERF_TEST/fftw/lib"

$ export MPICC=/home/san/PERF_TEST/mpich2/bin/mpicc


With OPENMPI

$ export CC=`which gcc`

$ export CXX=`which g++`

$ export F77=`which gfortran`

$ export CFLAGS="-I/home/san/PERF_TEST/fftw/include -O3"

$ export LDFLAGS="-L/home/san/PERF_TEST/fftw/lib"