Alamode

https://alamode.readthedocs.io/en/latest/quickstart.html

Alamode is composed of 2 main program alm and anphon

alm is compiled with openmp and should be used in all.q

here is an exapmple of SGE script

#!/bin/bash
# -l all.q
# -l h_vmem=4G
# -pe openmp 8
 
export OMP_NUM_THREADS=$NSLOTS
 
module load alamode
 
alm alm.in > alm.log

anphon is compiled with MPI and should be used with parallel.q

#!/bin/bash
# -l parallel.q
# -l h_vmem=4G
# -pe mpi 16
 
module load alamode
 
mpirun -np $NSLOTS anphon anphon.in > anphon.log

For Both programs, use mesoshared to test directly in interactive mode before submitting to SGE.

For example :

module load alamode

mpirun -np 16 anphon anphon.in

Or

alm alm.in