<t>Hi Peter, <br/> thanks for your help.<br/> However, I still have the same problem (I have added openmm in the LD_LIBRARY_PATH as you suggested).<br/> We have a 64bit linux environment; is it possible to run the mdrun-openmm binary on 64bit machines? <br/> <br/> Now, we are checking that CUDA SDK ...

<t>Yes!<br/> [Xalcantaj@sherwood11 marco]$ echo $OPENMM_PLUGIN_DIR <br/> /home_nfs/Xalcantaj/soft/openmm/lib/plugins<br/> <br/> [Xalcantaj@sherwood11 marco]$ ls /home_nfs/Xalcantaj/soft/openmm/lib/plugins<br/> libOpenMMCuda.so<br/> <br/> [Xalcantaj@sherwood11 marco] echo $LD_LIBRARY_PATH<br/> /opt/c...

<t>Hi, <br/> I have the same problem: gromacs does not uses gpu (mdrun-openmm prints out OpenMM Platform: Reference).<br/> <br/> I have followed the readme (Gromacs-OpenMM Readme.txt) step by step.<br/> I have checked that the OpenMM lib and cuda libs are in LD_LIBRARY_PATH and that OPENMM_PLUGIN_DI...