Ask the system manager where the executables are and what are their names.
I have tried using the mdrun_mpi and it can't run. It gives me this error:
Failed to find the following executable:
Executable: mdrun_mpi
Cannot continue.
Belquis
I ran this command for Parellel calculation:
mpirun -np 2 mdrun -deffnm filename
did you try the following
mpirun -np 2 mdrun_mpi -deffnm filename
XAvier
Thanks in advance,
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-----------------------------------------------------
XAvier Periole - PhD
1- Institute of Molecular Assemblies
City University of New York - USA
2- Molecular Dynamics-Group
University of Groningen - The Netherlands
http://md.chem.rug.nl/~periole
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-----------------------------------------------------
XAvier Periole - PhD
1- Institute of Molecular Assemblies
City University of New York - USA
2- Molecular Dynamics-Group
University of Groningen - The Netherlands
http://md.chem.rug.nl/~periole
-----------------------------------------------------
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