[gmx-users] mdrun-gpu error message on Gromacs 4.5.5

[Andrew DeYoung]

Hi,

I am running mdrun-gpu on Gromacs 4.5.5 (with OpenMM).  This is my first
time using a GPU.  I get the following error message when attempting to run
mdrun-gpu with my .tpr file: 

-------------------------------------------------------
Program mdrun-gpu, VERSION 4.5.5
Source code file:
/usr/local/src/gromacs-4.5.5/src/kernel/openmm_wrapper.cpp, line: 1365

Fatal error:
OpenMM exception caught while initializating: getPropertyValue: Illegal
property name
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors
-------------------------------------------------------

I get this error when calling with:

mdrun-gpu -s topol.tpr

and with:

mdrun-gpu -device
"OpenMM:platform=Cuda,memtest=15,deviceid=0,force-device=no" -s topol.tpr

I can't seem to find this particular error message in the documentation or
previously discussed on this mailing list.  Does this error message suggest
that I am calling mdrun-gpu incorrectly, or that OpenMM is improperly
installed?

Thank you kindly for your time! 

Andrew DeYoung
Carnegie Mellon University