[gmx-users] How to run a mpi command in gromacs 4.5 version

vinshal shalini vinshal.shalini at gmail.com
Tue Aug 23 09:48:50 CEST 2016


Hi all,

  * command used :* *mpirun -np NP_tot mdrun_mpi -deffnm  md -npme NP_pme
-ntomp NT*

                            *mpirun -np 11 mdrun_mpi -ntomp 2 -npme 6
-ntomp_pme 1*

*comment which i am getting while running the mpi:*
*mpirun was unable to launch the specified application as it could not find
an executable:*

*Executable: mdrun_mpi*
*Node: bio-linux*

*while attempting to start process rank 0.*


*Thanks*
*Shalini.M*


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