[gmx-users] Tesla S2050 issues

[Matthew Lardy]

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