OpenMM Tinker Make Error

The functionality of OpenMM will (eventually) include everything that one would need to run modern molecular simulation.
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sean ryno
Posts: 2
Joined: Wed Apr 29, 2015 12:48 am

OpenMM Tinker Make Error

Post by sean ryno » Sat May 02, 2015 11:17 pm

Hello,

I am attempting to build dynamic_omm.x with the supplied files. Although, upon running 'make all' I receive the following error:

ommstuff.cpp:1566:105: error: too many arguments to function ‘int OpenMM_AmoebaStretchBendForce_addStretchBend(OpenMM_AmoebaStretchBendForce*, int, int, int, double, double, double, double)’

The corresponding line in ommstuff.cpp is:

OpenMM_AmoebaStretchBendForce_addStretchBend( amoebaStretchBendForce,
*(angleIndexPtr)-1, (*(angleIndexPtr+1))-1, (*(angleIndexPtr+2))-1,
bondLengthAB, bondLengthCB, OpenMM_RadiansPerDegree*(*(angbnd__.anat +index)),
(OpenMM_KJPerKcal/OpenMM_NmPerAngstrom)*angpot__.stbnunit*(*(strbnd__.sbk+2*ii)),
(OpenMM_KJPerKcal/OpenMM_NmPerAngstrom)*angpot__.stbnunit*(*(strbnd__.sbk+2*ii+1)) );

Any help would be greatly appreciated.

-Sean

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Lee-Ping Wang
Posts: 102
Joined: Sun Jun 19, 2011 5:14 pm

Re: OpenMM Tinker Make Error

Post by Lee-Ping Wang » Sun May 03, 2015 4:52 pm

Hi Sean,

I know about this problem, and it comes from a recent (<6 mos.) change to the OpenMM API. You're probably linking against version of OpenMM that is too old, and it doesn't have the API change.

Try with the newest development build of OpenMM (git clone https://github.com/pandegroup/openmm) and the latest release of TINKER (http://dasher.wustl.edu/tinker/).

Thanks,

- Lee-Ping

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sean ryno
Posts: 2
Joined: Wed Apr 29, 2015 12:48 am

Re: OpenMM Tinker Make Error

Post by sean ryno » Mon May 04, 2015 6:41 am

Lee-Ping,

Thank you. It is now working correctly.

-Sean

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