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gulubaozi

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[求助] LAMMPS CUDA/GPU Floating point exception

机器上有一块Quadro 4000的显卡,安装的是NVIDIA最新的CUDA-7.5的runfile,所有内容全装了,CUDA的samples也能运行。
lammps里的CUDA和GPU包也装好了,但是用lammps的examples/accelerate测试的时候发现了下面的问题。
使用命令 "lammps -sf gpu < in.lj" 和 "mpirun -np 8 lammps -sf gpu < in.lj"一切正常,但是如果用
"mpirun -np 12 lmp_gpu_double -sf gpu -pk gpu 2 < in.lj" 和 "mpirun -np 4 lmp_gpu_double -sf gpu -pk gpu 2 tpa 8 < in.lj.5.0", 则显示如下错误:
-------------------------------------------分割线------------------------------------------------------------------------
ERROR: Could not find/initialize a specified accelerator device (../gpu_extra.h:35)
Cuda driver error 4 in call at file 'geryon/nvd_device.h' in line 124.
-----------------------------------------分割线-----------------------------------------------------------------------

如果运行命令 "lmp_machine -c on -sf cuda < in.lj", "mpirun -np 1 lmp_machine -c on -sf cuda < in.lj"和"mpirun -np 2 lmp_machine -c on -sf cuda -pk cuda 2 < in.lj", 则报错如下:
-------------------------------------------分割线-------------------------------------------------------------------
# CUDA: Activate GPU
Floating point exception (core dumped)
---------------------------------------------分割线------------------------------------------------------------------
我自己尝试用 pair_style eam/alloy/gpu 加速计算的话,也会提示Floating point exception。
请问这是怎么回事,该如何解决。
谢谢!
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gulubaozi

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自顶一个。
2楼2015-11-20 08:41:48
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