Search found 17 matches
- Wed Jan 17, 2018 12:46 pm
- Forum: OpenMM
- Topic: Undefined registerKernelFactories in Plugin
- Replies: 4
- Views: 1170
Re: Undefined registerKernelFactories in Plugin
Nevermind, I found the issue, I misread the logs, it was actually failing to load the plugin due to a linking error.
- Wed Jan 17, 2018 11:46 am
- Forum: OpenMM
- Topic: Undefined registerKernelFactories in Plugin
- Replies: 4
- Views: 1170
Re: Undefined registerKernelFactories in Plugin
yes, it is the only location where that is available beside the build folder.
- Wed Jan 17, 2018 6:13 am
- Forum: OpenMM
- Topic: Undefined registerKernelFactories in Plugin
- Replies: 4
- Views: 1170
Undefined registerKernelFactories in Plugin
Hi, I've created the CPU platform for my plugin, at runtime it finds the plugin ".so" library but `dlsym` returns a NULL handle for registerKernelFactories. I defined the function as: extern "C" OPENMM_EXPORT void registerKernelFactories() { std::cout << "Executing registerKernelFactories of CPU MBP...
- Thu Dec 07, 2017 2:20 pm
- Forum: OpenMM
- Topic: How to provide the CPU platform for a plugin
- Replies: 2
- Views: 852
How to provide the CPU platform for a plugin
I am trying to implement the CPU platform for the `mbpol_openmm_plugin`. If I am not mistaken, I need to include `CpuPlatform.h` to extend that in the `KernelFactory`, however that imports the `sfmt` library, which I noticed is built by OpenMM at compilation but not installed. Therefore I get the er...
- Mon Sep 14, 2015 3:44 pm
- Forum: OpenMM
- Topic: Rigidwater not working in plugin
- Replies: 2
- Views: 500
- Tue Jul 28, 2015 3:22 pm
- Forum: OpenMM
- Topic: Rigidwater not working in plugin
- Replies: 2
- Views: 500
Rigidwater not working in plugin
Hello, in our plugin the rigidwater flag does not work correctly. We have a simple test case of 3 water molecules, see https://github.com/sqamara/mbpol_debug/blob/master/test.py If we setup one of the OpenMM water models, like TIP5P, everything works correctly, see a plot of OH distances for the fir...
- Wed Jun 24, 2015 1:14 pm
- Forum: OpenMM
- Topic: Support both OpenMM 6.2 and 6.3
- Replies: 7
- Views: 2240
Re: Support both OpenMM 6.2 and 6.3
Thanks Jason,
I was actually more concerned about users that only use OpenMM C++ and don't even install the Python wrapper, do you have a feeling of what fraction of OpenMM users use only C++?
I was actually more concerned about users that only use OpenMM C++ and don't even install the Python wrapper, do you have a feeling of what fraction of OpenMM users use only C++?
- Wed Jun 24, 2015 10:15 am
- Forum: OpenMM
- Topic: Support both OpenMM 6.2 and 6.3
- Replies: 7
- Views: 2240
Re: Support both OpenMM 6.2 and 6.3
I wonder if it would be reasonable to rely on the Python wrapper, something like:
Code: Select all
python -c "from simtk import openmm; print(openmm.version.short_version)"
- Tue Jun 16, 2015 1:23 pm
- Forum: OpenMM
- Topic: Support both OpenMM 6.2 and 6.3
- Replies: 7
- Views: 2240
Re: Support both OpenMM 6.2 and 6.3
Thanks, how do I extract the current version of OpenMM at compilation time of a plugin?
- Mon Jun 15, 2015 1:30 pm
- Forum: OpenMM
- Topic: Support both OpenMM 6.2 and 6.3
- Replies: 7
- Views: 2240
Support both OpenMM 6.2 and 6.3
Hi,
the signature for the function `computeNeighborListVoxelHash` changed in 6.3, it now requires the periodic box vectors instead of the box size.
what is the easiest way for plugins to support both versions of this function?
thanks!
the signature for the function `computeNeighborListVoxelHash` changed in 6.3, it now requires the periodic box vectors instead of the box size.
what is the easiest way for plugins to support both versions of this function?
thanks!