Error only from CPU and OpenCL platforms for OpenMM 7.1.0rc1
Posted: Thu Feb 09, 2017 9:34 am
Hello,
I'm trying to use the newest version of OpenMM 7.1.0rc1 to run my previous script. It complains with I choose CPU or OpenCL platforms, but it works on Reference and CUDA platforms.
I installed OpenMM 7.1.0rc through conda. The output from the command shows it is installed correctly:
1 Reference - Successfully computed forces
2 CPU - Successfully computed forces
3 CUDA - Successfully computed forces
4 OpenCL - Successfully computed forces
Median difference in forces between platforms:
Reference vs. CPU: 1.97982e-05
Reference vs. CUDA: 2.15095e-05
CPU vs. CUDA: 1.55441e-05
Reference vs. OpenCL: 2.15121e-05
CPU vs. OpenCL: 1.55329e-05
CUDA vs. OpenCL: 1.13937e-07
However, when I run the test script provided in the attachment, it only works on Reference and CUDA platform.
On CPU platform, it complains: Exception: All Forces must have identical exclusions
On OpenCL platform, it complains: Exception: Error initializing context: clCreateContext (-33)
I'm using CUDA8.0. The NVIDIA driver version is 375.26 and the GPU hardware is GeForce GTX 1080.
Thanks,
Xinqiang
I'm trying to use the newest version of OpenMM 7.1.0rc1 to run my previous script. It complains with I choose CPU or OpenCL platforms, but it works on Reference and CUDA platforms.
I installed OpenMM 7.1.0rc through conda. The output from the command
Code: Select all
python -m simtk.testInstallation
1 Reference - Successfully computed forces
2 CPU - Successfully computed forces
3 CUDA - Successfully computed forces
4 OpenCL - Successfully computed forces
Median difference in forces between platforms:
Reference vs. CPU: 1.97982e-05
Reference vs. CUDA: 2.15095e-05
CPU vs. CUDA: 1.55441e-05
Reference vs. OpenCL: 2.15121e-05
CPU vs. OpenCL: 1.55329e-05
CUDA vs. OpenCL: 1.13937e-07
However, when I run the test script provided in the attachment, it only works on Reference and CUDA platform.
On CPU platform, it complains: Exception: All Forces must have identical exclusions
On OpenCL platform, it complains: Exception: Error initializing context: clCreateContext (-33)
I'm using CUDA8.0. The NVIDIA driver version is 375.26 and the GPU hardware is GeForce GTX 1080.
Thanks,
Xinqiang