求助：win并行版lammps无法使用gpu:Attempting to use an MPI routine ...

taomh

命令提交如下mpiexec -np 4 lmp -in in1.pmf -sf gpu -pk gpu 1
报错信息如下：
--------------------------------------------------------------------------
- Using acceleration for lj/cut/coul/long:
-  with 4 proc(s) per device.
-  with 1 thread(s) per proc.
-  with OpenCL Parameters for: NVIDIA_GPU (203)
-  Horizontal vector operations: ENABLED
-  Shared memory system: No
--------------------------------------------------------------------------
Platform: NVIDIA Corporation NVIDIA CUDA OpenCL 3.0 CUDA 12.4.125
Device 0: NVIDIA GeForce RTX 3080 Ti, 80 CUs, 12 GB, 1.7 GHZ (Mixed Precision)
--------------------------------------------------------------------------

Initializing Device and compiling on process 0...Done.
Initializing Device 0 on core 0...Done.
Initializing Device 0 on core 1...Done.
Initializing Device 0 on core 2...Done.
Initializing Device 0 on core 3...
Attempting to use an MPI routine after finalizing MPI
Attempting to use an MPI routine after finalizing MPI
Attempting to use an MPI routine after finalizing MPI
Attempting to use an MPI routine after finalizing MPI

问题排除：
已安装Microsoft MPI
若只进行并行计算mpiexec -np 4 lmp -in in1.pmf ，可以进行运算

oniya

我猜是新版lammpsde 缘故，之前用的2023版没问题，更新成2024版就出现这问题了