clean up of example

380cc15b · Doak, Peter W · c54508b1 · 380cc15b
Commit 380cc15b authored Dec 13, 2017 by Doak, Peter W
--- a/TITAN/namd/apoa1/run_namd.sh
+++ b/TITAN/namd/apoa1/run_namd.sh
@@ -20,9 +20,7 @@ export MPICH_UNEX_BUFFER_SIZE=100M
 NPROC=$((PBS_NUM_NODES))

 cd $PBS_O_WORKDIR
-#0 +ppn 7 +setcpuaffinity \
-#                                +pemap 0,2,4,6,8,10,12 +commap 14 \

 aprun -n $NPROC -N 1 -d 8 namd2 ++ppn 7 +setcpuaffinity \
                                +pemap 0,2,4,6,8,10,12 +commap 14 +idlepoll +devices 0 \
-                                apoa1.namd >& apoa1_test.log
\ No newline at end of file
+                                apoa1.namd >& apoa1_test.log