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 -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
