From 283fee001bcf39083c28751cd3cfd704237ca7c7 Mon Sep 17 00:00:00 2001
From: koko <1429659362@qq.com>
Date: Tue, 9 Dec 2025 09:44:42 +0800
Subject: [PATCH] =?UTF-8?q?nep=E6=A1=86=E6=9E=B6=E9=87=8D=E6=9E=84?=
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---
 config/machine.yaml | 6 ++++++
 1 file changed, 6 insertions(+)

diff --git a/config/machine.yaml b/config/machine.yaml
index 93d9724..dca3693 100644
--- a/config/machine.yaml
+++ b/config/machine.yaml
@@ -1,6 +1,12 @@
 machine_name: "Local_Test_Env"
 root_dir: "." # <--- 请修改这里为你的实际路径
 
+paths:
+  # 必须填写入完整的绝对路径，确保 Python 无论在哪里执行都能找到它
+  gpumdkit: "/cluster/home/koko125/tool/GPUMDkit/gpumdkit.sh"
+
+  # 如果你的 nep 可执行文件也有特定路径，也可以放在这里
+  nep_exe: "/cluster/home/koko125/tool/GPUMD/src/nep"
 # 脚本库位置
 script_dir: "config/scripts"