Siesta 3.2 is installed and run in mpi mode from 1 to 16 cpus on long.q only.

qsub /apps/bin/run_siesta_1cpus input

qsub /apps/bin/run_siesta_4cpus input

qsub /apps/bin/run_siesta_16cpus input

It assumes that you have input.fdf and it will produce input.out

So you decide which script to run 1, 4 or 16 cpus

For compilation following options were used (mpi_1.6.4, Intel composer_xe_2013.3.163 and newest scalapac and blacs).

mpif90 -w -m64 -fp-model strict -xHost -tpp7 -O3