Notes for running VMD on KTH PDC Cray XC40 'Beskow'
===================================================
Use 'salloc' or other commands to allocate nodes for
an interactive session, since you may want to run VMD
several times while trying out various parallel analysis
or rendering scripts.

Copy VMD tutorials and scripts to your own directory 
so you can modify them as you like:
  cd $SNIC_NOBACKUP
  rsync -av /cfs/klemming/nobackup/j/johnst/tutorials .

Allocate two nodes:
  salloc --nodes=4 -t 1:00:00 -A edu17.bioexcel

Run VMD, using your own copy of one of the scripts:
  /cfs/klemming/nobackup/j/johnst/local/bin/vmd194 -dispdev text -e $SNIC_NOBACKUP/tutorials/scripts.beskow/testtachyon.vmd

  /cfs/klemming/nobackup/j/johnst/local/bin/vmd194 -dispdev text -e $SNIC_NOBACKUP/tutorials/scripts.beskow/testmpi.vmd

When finished, simply type "exit" in the interactive session created 
by 'salloc' and the allocation will be terminated.

Always be sure to put an "exit" command at the end of all
VMD scripts that you intend to run in parallel.