# Error installing gromacs 2021.4

**URL:** <https://gromacs.bioexcel.eu/t/error-installing-gromacs-2021-4/6497>\
**Category:** User discussions\
**Tags:** installation-error\
**Created:** [May 26, 2023, 11:10am UTC](https://gromacs.bioexcel.eu/t/error-installing-gromacs-2021-4/6497 "2023-05-26T11:10:13Z")\
**Posts on this page:** 1\
**Page:** 1

<div class="post-metadata">

**Author:** ![Nupur\_Nagar](https://avatars.discourse-cdn.com/v4/letter/n/858c86/32.png) [@Nupur\_Nagar](https://gromacs.bioexcel.eu/u/Nupur_Nagar)\
**Post date:** [May 26, 2023, 11:10am UTC](https://gromacs.bioexcel.eu/t/error-installing-gromacs-2021-4/6497/1 "2023-05-26T11:10:13Z")

</div>

GROMACS version: 2021.4  
GROMACS modification: Yes/No

Hi,

I am getting this error while installing gromacs 2021.4 please help me with it.

**I configured cmake as follows:**

cmake … -DCMAKE\_C\_COMPILER=gcc -DCMAKE\_CXX\_COMPILER=g++ -DGMX\_MPI=ON -DGMX\_GPU=CUDA -DGMX\_SIMD=AVX2\_256 -DCMAKE\_PREFIX\_PATH=/usr/local/gromacs2021 -DCMAKE\_INSTALL\_PREFIX=/usr/local/gromacs2021 -DBUILD\_SHARED\_LIBS=ON -DGMX\_FFT\_LIBRARY=fftw3 -DCMAKE\_BUILD\_TYPE=Debug -DCUDA\_TOOLKIT\_ROOT\_DIR=/usr/local/cuda-11.7

**after this I am getting an error as follows:**

[92%] Building CXX object src/gromacs/CMakeFiles/libgromacs.dir/selection/selelem.cpp.o  
[92%] Building CXX object src/gromacs/CMakeFiles/libgromacs.dir/selection/selhelp.cpp.o  
[92%] Building CXX object src/gromacs/CMakeFiles/libgromacs.dir/selection/selmethod.cpp.o  
[92%] Building CXX object src/gromacs/CMakeFiles/libgromacs.dir/selection/selvalue.cpp.o  
[94%] Building CXX object src/gromacs/CMakeFiles/libgromacs.dir/selection/sm\_compare.cpp.o  
[94%] Building CXX object src/gromacs/CMakeFiles/libgromacs.dir/selection/sm\_distance.cpp.o  
[94%] Building CXX object src/gromacs/CMakeFiles/libgromacs.dir/selection/sm\_insolidangle.cpp.o  
[94%] Building CXX object src/gromacs/CMakeFiles/libgromacs.dir/selection/sm\_keywords.cpp.o  
[94%] Building CXX object src/gromacs/CMakeFiles/libgromacs.dir/selection/sm\_merge.cpp.o  
[94%] Building CXX object src/gromacs/CMakeFiles/libgromacs.dir/selection/sm\_permute.cpp.o  
[94%] Building CXX object src/gromacs/CMakeFiles/libgromacs.dir/selection/sm\_position.cpp.o  
[94%] Building CXX object src/gromacs/CMakeFiles/libgromacs.dir/selection/sm\_same.cpp.o  
[94%] Building CXX object src/gromacs/CMakeFiles/libgromacs.dir/selection/sm\_simple.cpp.o  
[94%] Building CXX object src/gromacs/CMakeFiles/libgromacs.dir/selection/symrec.cpp.o  
[94%] Linking CXX shared library …/…/lib/libgromacs\_mpi.so  
/usr/bin/ld: /usr/local/lib/libfftw3f.a(conf.o): warning: relocation against `fftwf_solvtab_dft_sse2' in read-only section `.text’  
/usr/bin/ld: /usr/local/lib/libfftw3f.a(assert.o): relocation R\_X86\_64\_PC32 against symbol `stdout@@GLIBC\_2.2.5’ can not be used when making a shared object; recompile with -fPIC  
/usr/bin/ld: final link failed: bad value  
collect2: error: ld returned 1 exit status  
make[2]: \*\*\* [src/gromacs/CMakeFiles/libgromacs.dir/build.make:13232: lib/libgromacs\_mpi.so.6.0.0] Error 1  
make[1]: \*\*\* [CMakeFiles/Makefile2:4392: src/gromacs/CMakeFiles/libgromacs.dir/all] Error 2  
make: \*\*\* [Makefile:166: all] Error 2

Thanks.