# Regarding installation of gromacs 2021.3 on GPU with MPI

**URL:** <https://gromacs.bioexcel.eu/t/regarding-installation-of-gromacs-2021-3-on-gpu-with-mpi/4747>\
**Category:** User discussions\
**Created:** [September 7, 2022, 1:39am UTC](https://gromacs.bioexcel.eu/t/regarding-installation-of-gromacs-2021-3-on-gpu-with-mpi/4747 "2022-09-07T01:39:35Z")\
**Posts on this page:** 1\
**Page:** 1

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**Author:** ![ashkhan](https://avatars.discourse-cdn.com/v4/letter/a/76d3ee/32.png) [@ashkhan](https://gromacs.bioexcel.eu/u/ashkhan)\
**Post date:** [September 7, 2022, 1:39am UTC](https://gromacs.bioexcel.eu/t/regarding-installation-of-gromacs-2021-3-on-gpu-with-mpi/4747/1 "2022-09-07T01:39:35Z")

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GROMACS version: 2021.3  
GROMACS modification: Yes/No  
Hi,  
The options which we have used with cmake command are:

cmake … -DGMX\_BUILD\_OWN\_FFTW=ON -DREGRESSIONTEST\_DOWNLOAD=OFF -DREGRESSIONTEST\_PATH=/gromacs/regressiontests-2021.3 -DGMX\_GPU=CUDA -DGMX\_MPI=ON -DGMX\_EXTERNAL\_BLAS=TRUE -DGMX\_GPU=CUDA -DGMX\_MPI=ON

I am installing the gromacs-2021.3 on GPU with MPI and cmake is properly configured, but when we run the make command after 95 % it shows the error  
collect2: error: ld returned 1 exit status make[2]: \*\*\* [api/nblib/samples/CMakeFiles/methane-water-integration.dir/build.m

what does it mean and how to resolve it? Please suggest me.