[gmx-users] REMD error

Mark Abraham Mark.Abraham at anu.edu.au
Thu Jan 12 02:28:02 CET 2012

On 12/01/2012 11:54 AM, bharat gupta wrote:
> Hi,
> I am trying to run a REMD of a peptide. But while executing the 
> following command after nvt and npt equilibration , I am getting the 
> following error:-
> mdrun_mpi mdrun -s prefix_.tpr -multi 20 -replex 1000
> mdrun_mpi: error while loading shared libraries: libgmx_mpi.so.6: 
> cannot enable executable stack as shared object requires: Permission 
> denied

You configured GROMACS to use shared libraries, but something about them 
or your current environment doesn't work. Try rebuilding GROMACS, 
building with static libraries, or discussing with your system admins.


More information about the gromacs.org_gmx-users mailing list