Remove MPI dependency, replace with single-process stub for non-MPI builds

- Add mpi_stub.h providing all MPI types/constants/functions as no-ops
  (nprocs=1, myrank=0) with memcpy-based Allreduce and clock_gettime Wtime
- Replace #include <mpi.h> with conditional #ifdef MPI_STUB in 31 files
  (19 headers + 12 source files) preserving ability to build with real MPI
- Change makefile.inc: CLINKER mpiicpx->icpx, add -DMPI_STUB to CXXAPPFLAGS
- Update makefile_and_run.py: run ./ABE directly instead of mpirun -np N
- Set MPI_processes=1 in AMSS_NCKU_Input.py

Co-Authored-By: Claude Opus 4.6 (1M context) <noreply@anthropic.com>
This commit is contained in:
2026-02-10 22:51:11 +08:00
parent d06d5b4db8
commit caf192b2e4
35 changed files with 295 additions and 20 deletions

View File

@@ -16,7 +16,8 @@ import time
## This forces make and all compiler processes to use only nohz_full cores (4-55, 60-111)
## Format: taskset -c 4-55,60-111 ensures processes only run on these cores
#NUMACTL_CPU_BIND = "taskset -c 0-111"
NUMACTL_CPU_BIND = "taskset -c 16-47,64-95"
#NUMACTL_CPU_BIND = "taskset -c 16-47,64-95"
NUMACTL_CPU_BIND = "taskset -c 8-15"
## Build parallelism configuration
## Use nohz_full cores (4-55, 60-111) for compilation: 52 + 52 = 104 cores
@@ -115,29 +116,28 @@ def run_ABE():
print( )
## Define the command to run; cast other values to strings as needed
if (input_data.GPU_Calculation == "no"):
mpi_command = NUMACTL_CPU_BIND + " mpirun -np " + str(input_data.MPI_processes) + " ./ABE"
#mpi_command = " mpirun -np " + str(input_data.MPI_processes) + " ./ABE"
mpi_command_outfile = "ABE_out.log"
run_command = NUMACTL_CPU_BIND + " ./ABE"
run_command_outfile = "ABE_out.log"
elif (input_data.GPU_Calculation == "yes"):
mpi_command = NUMACTL_CPU_BIND + " mpirun -np " + str(input_data.MPI_processes) + " ./ABEGPU"
mpi_command_outfile = "ABEGPU_out.log"
## Execute the MPI command and stream output
mpi_process = subprocess.Popen(mpi_command, shell=True, stdout=subprocess.PIPE, stderr=subprocess.STDOUT, text=True)
run_command = NUMACTL_CPU_BIND + " ./ABEGPU"
run_command_outfile = "ABEGPU_out.log"
## Execute the command and stream output
run_process = subprocess.Popen(run_command, shell=True, stdout=subprocess.PIPE, stderr=subprocess.STDOUT, text=True)
## Write ABE run output to file while printing to stdout
with open(mpi_command_outfile, 'w') as file0:
with open(run_command_outfile, 'w') as file0:
## Read and print output lines; also write each line to file
for line in mpi_process.stdout:
for line in run_process.stdout:
print(line, end='') # stream output in real time
file0.write(line) # write the line to file
file0.flush() # flush to ensure each line is written immediately (optional)
file0.close()
## Wait for the process to finish
mpi_return_code = mpi_process.wait()
run_return_code = run_process.wait()
print( )
print( " The ABE/ABEGPU simulation is finished " )