awk-vcores=$cores-vpos=$pos-vcount=$count-vcpn=$cores_per_node'BEGIN { a= pos; r=0; }; { if (a >= FNR && r < cores) { print "rank " r "=" $1 " slot=" (( a - 1 )); r = r + 1; a = a + 1 } }' pbs_nodefile > rankfile_${j}
awk-vcount=$count-vcpn=$cores_per_node'BEGIN { a= 0; r=0; cores=count/2; prev_node="" }; { if (a < cpn) { print "rank " r "=" $1 " slot=" a; r = r + 1; a = a + 2; prev_node=$1 } else { if (r < cores && prev_node != $1 ) {a = 0; print "rank " r "=" $1 " slot=" a ; r = r + 1; a = a + 2} }}' pbs_nodefile > rankfile
#VASP runs including significant communication especially for SCALAPACK run
#slower than they should. Refrain from using more than ~1 cpu per atom
#past 64 or 128 cores LSCALAPACK=.FALSE.
cores=2
jobs=16
pos=1
for j in$(seq 1 $jobs)
do
awk-vcores=$cores-vpos=$pos-vcount=$count-vcpn=$cores_per_node'BEGIN { a= pos; r=0; }; { if (a >= FNR && r < cores) { print "rank " r "=" $1 " slot=" (( a - 1 )); r = r + 1; a = a + 1 } }' pbs_nodefile > rankfile_${j}