#!/bin/csh

# @ PMI_RANK = 7
# @ PMI_SIZE = 8

if ( $PMI_SIZE < 2 ) then
  echo "at least 2 ranks required"
  exit -1
endif

set VMD = "/usr/local/bin/vmd64 -dispdev text"

@ totalprocs = `grep -c ^processor /proc/cpuinfo`

@ cores = ($totalprocs - 1) / ($PMI_SIZE - 1)

if ( $cores < 1 || $PMI_RANK == $PMI_SIZE - 1 ) @ cores = 1

setenv WKFFORCECPUCOUNT $cores
setenv VMDFORCECPUCOUNT $cores
#setenv VMDCUDADEV ???
setenv VMDNOCUDA

if ( $PMI_RANK == $PMI_SIZE - 1 ) then
  $VMD $* < /dev/null
else
  # $VMD $* < /dev/null >! /var/tmp/vmdout.$PMI_RANK.log
  $VMD $* < /dev/null
endif

