Update README.md

For aurora & (remove instructions for sunspot)

README.md

@@ -107,24 +107,13 @@ cmake -H. -Bbuild_sycl -DNWPW_SYCL=On -DCMAKE_CXX_COMPILER=icpx -DCMAKE_C_COMPIL
 ```
 ### Running
 ```
-qsub -l select=1 -l walltime=30:00 -A catalysis_aesp_CNDA -q debug -I
+qsub -l select=1 -l walltime=30:00 -A catalysis_aesp_CNDA -q lustre_scaling -I
 ```
-
-```
-qsub -l select=4 -l walltime=30:00 -A catalysis_aesp_CNDA -q workq -I
-```
-
-```
-mpiexec -n 4 --ppn 4  --env OMP_NUM_THREADS=1 gpu_tile_compact.sh ../../build_sycl/pwdft bandss222b.nw
-```
-
 ```
 export MPIR_CVAR_ENABLE_GPU=0
+export OMP_NUM_THREADS=1
 mpiexec -n 12 --ppn 12 --cpu-bind list:0-7:8-15:16-23:24-31:32-39:40-47:52-59:60-67:68-75:76-83:84-91:92-99 --mem-bind list:0:0:0:0:0:0:1:1:1:1:1:1 --env OMP_NUM_THREADS=1 gpu_tile_compact.sh ../../build_sycl/pwdft cco-cu_surf30.nw
 ```
-```
-mpiexec -n 6 --ppn 6  --env OMP_NUM_THREADS=1 --cpu-bind list:2:10:18:26:34:42 gpu_tile_compact.sh ../../build_sycl/pwdft cco-cu_surf30.nw
-```
 
 ##  Instructions for OLCF Frontier
 <details>