[CSC 435] Files...

[Andrew J. Pounds]

Hey guys -- sorry I forgot to do this yesterday -- just way too much 
going on trying to get out of town.  I have attached the two PBS files I 
showed you in class as well as the pmonte.f MPI program.


-- 
Andrew J. Pounds, Ph.D.  (pounds at theochem.mercer.edu)
Associate Professor of Chemistry and Computer Science
Mercer University,  Macon, GA 31207   (478) 301-5627

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#!/bin/sh
#Specifies the name of the file as it appears in PBS-queue
#PBS -N DYNAMICS 
#Specify in which queue the job will run (see also PBS webpages)
#The execution time differs; small,medium,long,verylong
#Parallel program, so only > 1 node needed
#PBS -l nodes=20:ithaca:ppn=1,walltime=8:00:00
#########################################
#Between hashes no changes needed
#
# send me email when job end
#PBS -M pounds_aj at mercer.edu
#PBS -m abe
#PBS -j oe
#PBS -k n
#PBS -V
#PBS -W depend=afterany:538
#Move to right directory
cd /home/pounds/moldyn/trunk/mpi 
#Find out how many nodes are selected
n=`wc -l < $PBS_NODEFILE`
#########################################
# Specify on parallel_prog filename +
#Additional options and out.txt
mpirun -np $n --hostfile $PBS_NODEFILE NVE_Dynamics 
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#!/bin/sh
#Specifies the name of the file as it appears in PBS-queue
#PBS -N DYNAMICS 
#Specify in which queue the job will run (see also PBS webpages)
#The execution time differs; small,medium,long,verylong
#Parallel program, so only > 1 node needed
#PBS -l nodes=3:ithaca:ppn=2,walltime=8:00:00
#########################################
#Between hashes no changes needed
#
# send me email when job end
#PBS -M pounds_aj at mercer.edu
#PBS -m abe
#PBS -j oe
#PBS -k n
#PBS -V
#Move to right directory
cd /home/pounds/moldyn/trunk/mpi 
#Find out how many nodes are selected
n=`wc -l < $PBS_NODEFILE`
n=`expr $n / 2`
#########################################
# Specify on parallel_prog filename +
#Additional options and out.txt
cp md200.dat md2.in
mpirun -np $n  --hostfile $PBS_NODEFILE --pernode NVE_Dynamics 
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