The functionality of OpenMM will (eventually) include everything that one would need to run modern molecular simulation.
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Andrea Zonca
- Posts: 17
- Joined: Tue Aug 19, 2014 1:32 pm
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by Andrea Zonca » Thu Dec 07, 2017 2:20 pm
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 error:
Code: Select all
In file included from /home/azonca/anaconda3/envs/mbpol/include/openmm/cpu/CpuPlatform.h:36:0,
from /home/azonca/Paesani/OpenMM/openmm/plugins/mbpol/platforms/cpu/src/MBPolCpuKernelFactory.cpp:29:
/home/azonca/anaconda3/envs/mbpol/include/openmm/cpu/CpuRandom.h:35:23: fatal error: sfmt/SFMT.h: No such file or directory
#include "sfmt/SFMT.h"
What is the best way to handle this? Thanks!
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Peter Eastman
- Posts: 2593
- Joined: Thu Aug 09, 2007 1:25 pm
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by Peter Eastman » Fri Dec 08, 2017 5:50 pm
SFMT gets compiled directly into the main OpenMM library, and the headers get installed with the source code. You just need to have the OpenMM includes directory (e.g. /usr/local/openmm/include) in your include path.
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Tapzi Smith
- Posts: 1
- Joined: Tue Feb 06, 2018 7:40 am
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by Tapzi Smith » Tue Feb 06, 2018 7:45 am
Thanks for information.That's what I need.Also i look at
github.com-Topazy.But nothing useful.
I searched for a long time, but not there.And here it turns out that for a long time there is an answer.
With your permission I will use this method
All the best!
Last edited by
Tapzi Smith on Tue Feb 06, 2018 7:53 am, edited 1 time in total.