# Installation with mdrun\_only and running regression tests

**URL:** <https://gromacs.bioexcel.eu/t/installation-with-mdrun-only-and-running-regression-tests/2677>\
**Category:** User discussions\
**Created:** [August 12, 2021, 9:15pm UTC](https://gromacs.bioexcel.eu/t/installation-with-mdrun-only-and-running-regression-tests/2677 "2021-08-12T21:15:26Z")\
**Posts on this page:** 1\
**Page:** 1

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**Author:** ![Alexandre\_Oliveira](https://avatars.discourse-cdn.com/v4/letter/a/5daacb/32.png) [@Alexandre\_Oliveira](https://gromacs.bioexcel.eu/u/Alexandre_Oliveira)\
**Post date:** [August 12, 2021, 9:15pm UTC](https://gromacs.bioexcel.eu/t/installation-with-mdrun-only-and-running-regression-tests/2677/1 "2021-08-12T21:15:27Z")

</div>

GROMACS version: gromacs 2019.4  
GROMACS modification: Yes/No

I have follow the installation for a compute cluster back-end nodes where I patched the gromacs2019.4 with Plumed and I wanted to check if the gromacs was well installed. I have followed your recommendations with slight changes. The steps that I took were after installation of plumed:

tar xfz gromacs-2019.4.tgz  
cd gromacs-2019.4  
plumed-patch -p  
mkdir build-normal  
cd build-normal  
cmake … -DCMAKE\_INSTALL\_PREFIX=/home/ldap/acoliveira/software/gromacs-2019.4/  
make -j 4  
make install  
cd …  
mkdir build-mdrun-only  
cd build-mdrun-only  
export CXX=icpc  
export CC=icc  
cmake … -DCMAKE\_INSTALL\_PREFIX=/home/ldap/acoliveira/software/gromacs-2019.4/ -DGMX\_PREFER\_STATIC\_LIBS=ON -DGMX\_MPI=ON -DCMAKE\_CXX\_COMPILER={CXX} - DCMAKE\_C\_CCOMPILER={CC} -DGMX\_FFT\_LIBRARY=fftw3 -DGMX\_BUILD\_MDRUN\_ONLY=on  
make -j 4  
make install  
cd /home/ldap/acoliveira/software/downloads/regressiontests  
source /home/ldap/acoliveira/software/gromacs-2019.4//bin/GMXRC  
./gmxtest.pl all -np 2

I think I have installed it properly, right? but when I run the last command (./gmxtest) it says that :

Will test on 2 MPI ranks (if possible)  
sh: mpi\_mdrun: command not found  
ERROR: Can not find executable gmx\_mpi nmeig in your path.  
Please source GMXRC and try again.

When I run the command “gmx” and the command “mdrun\_mpi” he recognizes what I’m asking and everything sames ok. My understanding is that it was never installed as gmx\_mpi and only as mdrun\_mpi. And by the way to run the version mdrun\_mpi if I use the command gmx mdrun he only recognizes the version installed without the mpi right?  
Thank you in advance.