[gmx-users] mdrun_mpi executable not found

[Justin Kat]

Dear gmx users,


I have installed the parallel version 4.0.7 of gromacs on one of the nodes
of my cluster. Here is the steps I've done through root:


first, the normal installation:

./configure

make

make install

make links



then issued commands below for the mpi build:

./configure --enable-mpi

make mdrun

make install-mdrun

make links


I dont see any errors and everything seems to install fine.

I then switch to a normal user to do my work and then after issuing
the grompp_md command as usual, I entered the command below:


mpirun -np 8 mdrun_mpi -s *.tpr -o *.tpr -c *_after_md -v >& output.mdrun_md

however, output.mdrun_md gives:

mpirun was unable to launch the specified application as it could not
find an executable:


Executable: mdrun_mpi
Node: node3.reyclus.loc


while attempting to start process rank 0.


Was the installation procedure incorrect? Or do I need to go through a
separate installation for the mdrun_mpi executable? Please guide me on what
is wrong.

Thanks,
Justin
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