feat: Implement hybrid MPI+OpenMP parallelization

- Enable -qopenmp in makefile.inc
- Add OpenMP directives to 4th order derivatives in diff_new.f90
- Update makefile_and_run.py to dynamic calculate OMP_NUM_THREADS based on 96 cores and remove hardcoded CPU binding

AMSS_NCKU_source/makefile.inc

@@ -15,16 +15,16 @@ LDLIBS  = -L${MKLROOT}/lib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lifcore
 ## -xHost: Optimize for the host CPU architecture (Intel/AMD compatible)
 ## -fp-model fast=2: Aggressive floating-point optimizations
 ## -fma: Enable fused multiply-add instructions
-## Note: OpenMP has been disabled (-qopenmp removed) due to performance issues
-CXXAPPFLAGS  = -O3 -xHost -fp-model fast=2 -fma \
+## Note: OpenMP enabled for hybrid MPI+OpenMP
+CXXAPPFLAGS  = -O3 -xHost -fp-model fast=2 -fma -qopenmp \
                -Dfortran3 -Dnewc -I${MKLROOT}/include
-f90appflags  = -O3 -xHost -fp-model fast=2 -fma \
+f90appflags  = -O3 -xHost -fp-model fast=2 -fma -qopenmp \
                -fpp -I${MKLROOT}/include
 f90          = ifx
 f77          = ifx
 CXX          = icpx
 CC           = icx
-CLINKER      = mpiicpx 
+CLINKER      = mpiicpx -qopenmp 
 
 Cu = nvcc
 CUDA_LIB_PATH = -L/usr/lib/cuda/lib64 -I/usr/include -I/usr/lib/cuda/include