#!/bin/bash
set -u

# Usage: gsub_wait <jobname>

job=${1:-}
if [[ -z "$job" ]]; then
  echo "Usage: $0 <jobname-without-extension>"
  exit 1
fi

# ==========================================
# 1. 提交任务 (Submit Job)
# ==========================================

# 确定 gsub 命令位置
# 优先查找当前目录下的 gsub，否则查找 PATH
if [[ -x "./gsub" ]]; then
    GSUB_CMD="./gsub"
else
    GSUB_CMD="gsub"
fi

# 调用 gsub 并捕获输出
# 注意：gsub 内部可能通过 SSH 在远程执行，最终返回 qsub 的输出
output=$($GSUB_CMD "$job")
echo "$output"

# ==========================================
# 2. 检查是否需要等待 (Check Silent Mode)
# ==========================================
# 如果 GSUB_SILENT 为 1，则不进行监控，直接退出
if [[ "${GSUB_SILENT:-0}" == "1" ]]; then
  exit 0
fi

# ==========================================
# 3. 监控任务进度 (Monitor Progress)
# ==========================================

# 尝试提取 Job ID (例如: 67147.cluster -> 67147)
jobid_full=$(echo "$output" | grep -oE '[0-9]+\.cluster|[0-9]+' | head -n 1 || true)

if [[ -n "$jobid_full" ]]; then
  jobid=${jobid_full%%.*}
  
  # 准备参数
  out_file="$job.out"
  gin_file="$job.gin"
  end_file="$job.job.o$jobid"
  
  if [[ ! -f "$gin_file" ]]; then
      # 如果 gin 文件找不到（可能是远程路径问题？），跳过监控
      echo "Warning: $gin_file not found nearby. Skipping monitor."
      exit 0
  fi
  
  # 计算 Total Steps: (--link1-- 数量) + 1
  link_count=$(grep -c -- "--link1--" "$gin_file" || true)
  total=$((link_count + 1))
  cntDone=0
  cntSCF=0
  
  last_lines=0
  
  echo "Monitoring Job $jobid..."

  while true; do
    # A. 检查 PBS 结束文件 (Job 完成标志)
    if [[ -f "$end_file" ]]; then
      echo "Job finished (found $end_file)."
      break
    fi
    
    # B. 检查并读取 .out 输出文件
    if [[ -f "$out_file" ]]; then
      curr_lines=$(wc -l < "$out_file" 2>/dev/null || echo 0)
      
      # 如果文件变小（被截断或重新生成），重置读取位置
      if (( curr_lines < last_lines )); then last_lines=0; fi
      
      if (( curr_lines > last_lines )); then
        # 逐行处理新增内容
        # 使用进程替换 < <(...) 避免管道导致的子shell变量丢失问题
        while IFS= read -r line; do
          
          # 检查 SCF Done
          # 正则匹配: SCF Done: ... E ... = (数值) A.U.
          if [[ "$line" =~ SCF[[:space:]]Done:.*E.*=[[:space:]]*([-0-9.]+)[[:space:]]*A\.U\. ]]; then
             energy="${BASH_REMATCH[1]}"
             cntSCF=$((cntSCF + 1))
             echo "$job: SCF Done: $energy [$cntSCF] ($cntDone/$total)"
          fi
          
          # 检查 Termination
          if [[ "$line" == *"termination of Gaussian"* ]]; then
             cntDone=$((cntDone + 1))
             echo "$job: task done ($cntDone/$total)"
          fi
          
        done < <(tail -n "+$((last_lines + 1))" "$out_file")
        
        last_lines=$curr_lines
      fi
    fi
    
    sleep 2
  done
  
  # C. 最终校验
  if (( cntDone != total )); then
    echo "Warning: cntDone ($cntDone) != total ($total)"
  fi
else
  echo "Could not parse Job ID from output. Monitor skipped."
fi