完善mps的vidal机制,多节点并行;补充tn搜索时dask集群搜索的方式

run_vidal_mps_cases.sh

@@ -0,0 +1,134 @@
+#!/usr/bin/env bash
+set -euo pipefail
+
+# Focused Vidal/MPS expectation test cases for 1D chain circuits.
+#
+# These cases intentionally avoid qmatchatea and generic TN paths.  They target
+# the current supported scope: one-qubit gates, adjacent two-qubit gates, and
+# Pauli-sum expectation values on a 1D chain.
+
+ROOT_DIR="$(cd "$(dirname "${BASH_SOURCE[0]}")" && pwd)"
+cd "$ROOT_DIR"
+
+PYTHON_BIN="${PYTHON_BIN:-.venv/bin/python}"
+MPIEXEC="${MPIEXEC:-mpiexec}"
+HOSTFILE="${HOSTFILE:-hostfile}"
+
+THREADS="${THREADS:-32}"
+MPI_RANKS="${MPI_RANKS:-16}"
+MPI_THREADS="${MPI_THREADS:-12}"
+
+export OMP_NUM_THREADS="${OMP_NUM_THREADS:-1}"
+export MKL_NUM_THREADS="${MKL_NUM_THREADS:-1}"
+
+run() {
+  echo
+  echo "--------------------------------------------------------------------------------"
+  echo "$*"
+  echo "--------------------------------------------------------------------------------"
+  "$@"
+}
+
+case "${1:-help}" in
+  smoke)
+    # Short correctness-oriented run.  Useful before starting long jobs.
+    run "$PYTHON_BIN" -u benchmark_cpu_expectation.py \
+      --mps \
+      --nqubits 40 \
+      --nlayers 10 \
+      --bond 2048 \
+      --torch-threads "$THREADS" \
+      --circuits brickwall_cnot reversed_cnot shifted_cz rxx_rzz \
+      --observables ring_xz open_zz range2_xx long_z_string
+    ;;
+
+  convergence)
+    # Same circuit/observable, increasing bond.  Check value convergence.
+    for bond in ${BONDS:-4096 16384 65536}; do
+      run "$PYTHON_BIN" -u benchmark_cpu_expectation.py \
+        --mps \
+        --nqubits "${NQ:-80}" \
+        --nlayers "${LAYERS:-16}" \
+        --bond "$bond" \
+        --torch-threads "$THREADS" \
+        --circuits "${CIRCUIT:-brickwall_cnot}" \
+        --observables "${OBSERVABLE:-ring_xz}"
+    done
+    ;;
+
+  single-long)
+    # Single long Vidal run.  On node-3, a similar n=40,l=30,bond=2048 case
+    # took about 9 minutes for one expectation.  This one is meant to be longer.
+    run "$PYTHON_BIN" -u benchmark_cpu_expectation.py \
+      --mps \
+      --nqubits "${NQ:-80}" \
+      --nlayers "${LAYERS:-16}" \
+      --bond "${BOND:-65536}" \
+      --torch-threads "$THREADS" \
+      --circuits "${CIRCUIT:-brickwall_cnot}" \
+      --observables "${OBSERVABLE:-ring_xz}"
+    ;;
+
+  suite-long)
+    # Application-style multi-circuit, multi-observable MPS run.
+    # This is intentionally multi-term and should run much longer than single-long.
+    run "$PYTHON_BIN" -u benchmark_cpu_expectation.py \
+      --mps \
+      --nqubits "${NQ:-80}" \
+      --nlayers "${LAYERS:-16}" \
+      --bond "${BOND:-65536}" \
+      --torch-threads "$THREADS" \
+      --circuits brickwall_cnot reversed_cnot shifted_cz rxx_rzz \
+      --observables ring_xz open_zz mixed_local range2_xx long_z_string
+    ;;
+
+  mpi-long)
+    # Multi-node Vidal segmented MPS run.  Uses HOSTFILE.
+    run "$MPIEXEC" -hostfile "$HOSTFILE" -n "$MPI_RANKS" "$PYTHON_BIN" -u benchmark_cpu_expectation.py \
+      --mpi --mps \
+      --nqubits "${NQ:-80}" \
+      --nlayers "${LAYERS:-16}" \
+      --bond "${BOND:-65536}" \
+      --torch-threads "$MPI_THREADS" \
+      --circuits brickwall_cnot reversed_cnot shifted_cz rxx_rzz \
+      --observables ring_xz open_zz mixed_local range2_xx long_z_string
+    ;;
+
+  stress)
+    # Heavier entanglement.  Start only after single-long is stable.
+    run "$PYTHON_BIN" -u benchmark_cpu_expectation.py \
+      --mps \
+      --nqubits "${NQ:-80}" \
+      --nlayers "${LAYERS:-18}" \
+      --bond "${BOND:-262144}" \
+      --torch-threads "${THREADS:-48}" \
+      --circuits "${CIRCUIT:-rxx_rzz}" \
+      --observables ring_xz open_zz range2_xx
+    ;;
+
+  help|*)
+    cat <<'EOF'
+Usage: ./run_vidal_mps_cases.sh [smoke|convergence|single-long|suite-long|mpi-long|stress]
+
+Common overrides:
+  PYTHON_BIN=.venv/bin/python
+  THREADS=32
+  OMP_NUM_THREADS=1 MKL_NUM_THREADS=1
+
+Single-node scale overrides:
+  NQ=80 LAYERS=16 BOND=65536
+  CIRCUIT=brickwall_cnot
+  OBSERVABLE=ring_xz
+  BONDS="4096 16384 65536"   # for convergence mode
+
+Multi-node overrides:
+  HOSTFILE=hostfile
+  MPI_RANKS=16 MPI_THREADS=12
+
+Recommended first runs:
+  ./run_vidal_mps_cases.sh smoke
+  ./run_vidal_mps_cases.sh convergence
+  ./run_vidal_mps_cases.sh single-long
+EOF
+    ;;
+esac