Pittsburgh Supercomputing Center 

Advancing the state-of-the-art in high-performance computing,
communications and data analytics.


Allocation requests now being accepted.     More information  

#PBS -l ncpus=16
#PBS -l walltime=30:00
#PBS -o amber.out
#PBS -j oe
#PBS -q batch

# move to  directory from where job was submitted
# input files are there

# set up the module command
source /usr/share/modules/init/csh

# load the default amber module
# it is amber12 in this case
module load amber

set echo
#run my executable mpirun -np $PBS_NCPUS pmemd.MPI -p prmtop -c inpcrd -i md.in -O


Spring2015 cover

View all PSC publications

PSC Fall2014 cover PSC Spring2014cPSC2013 covers web 

Subscriptions: You can receive PSC news releases via e-mail. Send a blank e-mail to psc-wire-join@psc.edu.