Hi all, I have had no issues compiling OpenMM 2.0 and Gromacs 4.5.x (I have tried all flavors between 1 and 4), but once it comes time to execute mdrun I get the following error message:
Error: invalid argument launching kernel kReduceForces The OpenMM group has been helpful in giving suggestions as to what to try, but I am at a loss now. I still get the same error. I have Cuda 3.1 on board and I have been able to compile both OpenMM 2 and OpenMM 3 without issue. I am also able to compile Gromacs, all recent flavors, linking in OpenMM without issue. I have also tried using the stock OpenMM libraries and have ended at the same place. Obviously I get a different error on exit when I link in OpenMM 3, Is it that my card is double precision? Thanks, Matt -- 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
