# Error During gromacs-2022 installation

**URL:** <https://gromacs.bioexcel.eu/t/error-during-gromacs-2022-installation/4057>\
**Category:** User discussions\
**Tags:** installation-error\
**Created:** [April 22, 2022, 12:02pm UTC](https://gromacs.bioexcel.eu/t/error-during-gromacs-2022-installation/4057 "2022-04-22T12:02:31Z")\
**Posts on this page:** 2\
**Page:** 1

<div class="post-metadata">

**Author:** ![Bratin](https://avatars.discourse-cdn.com/v4/letter/b/f07891/32.png) [@Bratin](https://gromacs.bioexcel.eu/u/Bratin)\
**Post date:** [April 22, 2022, 12:02pm UTC](https://gromacs.bioexcel.eu/t/error-during-gromacs-2022-installation/4057/1 "2022-04-22T12:02:31Z")

</div>

GROMACS version: 2022  
GROMACS modification: No  
Dear all,  
During the installation of GROMACS-2022 in cluster we are getting the following error

cmake … -DCMAKE\_INSTALL\_PREFIX=/apps/gromacs-2022 -DGMX\_BUILD\_OWN\_FFTW=ON -DREGRESSIONTEST\_DOWNLOAD=ON -DGMX\_FFT\_LIBRARY=fftw3 -DBUILD\_SHARED\_LIBS=ON -DGMX\_DOUBLE=ON -DGMX\_MPI=ON -DGMX\_GPU=ON  
– The C compiler identification is GNU 4.8.5  
– The CXX compiler identification is GNU 4.8.5  
– Check for working C compiler: /usr/bin/cc  
– Check for working C compiler: /usr/bin/cc – works  
– Detecting C compiler ABI info  
– Detecting C compiler ABI info - done  
– Detecting C compile features  
– Detecting C compile features - done  
– Check for working CXX compiler: /usr/bin/c++  
– Check for working CXX compiler: /usr/bin/c++ – works  
– Detecting CXX compiler ABI info  
– Detecting CXX compiler ABI info - done  
– Detecting CXX compile features  
– Detecting CXX compile features - done  
– Could NOT find Python3 (missing: Python3\_EXECUTABLE Python3\_LIBRARIES Python3\_INCLUDE\_DIRS Interpreter Development) (Required is at least version “3.7”)  
CMake Error in /apps/scratch/compile/gromacs-2022/build22042022/CMakeFiles/CMakeTmp/CMakeLists.txt:  
Target “cmTC\_8bbf1” requires the language dialect “CXX17” , but CMake does  
not know the compile flags to use to enable it.

CMake Error at cmake/gmxDetectTargetArchitecture.cmake:43 (try\_compile):  
Failed to generate test project build system.  
Call Stack (most recent call first):  
CMakeLists.txt:168 (gmx\_detect\_target\_architecture)

– Configuring incomplete, errors occurred!  
See also “/apps/scratch/compile/gromacs-2022/build22042022/CMakeFiles/CMakeOutput.log”.

Why this error is coming? Is it because of older version of the operating system? We have CentOS Linux 7. Please help me in this regard

---

<div class="post-metadata">

**Author:** ![pbauer](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/pbauer/32/13_2.png) [@pbauer](https://gromacs.bioexcel.eu/u/pbauer)\
**Post date:** [April 22, 2022, 2:58pm UTC](https://gromacs.bioexcel.eu/t/error-during-gromacs-2022-installation/4057/2 "2022-04-22T14:58:13Z")

</div>

Hello, this is a known issue with the outdated compilers that CentOS is shipping as the default. You need to enable a dev-toolset that provides the minimum compilers and standard libraries.

Cheers  
Paul

> ![](https://europe1.discourse-cdn.com/flex017/uploads/bioexcel1/original/2X/d/dbc11298c7861aeddfa6a6e5464f066d893dab24.png "Bratin") | [Bratin](https://gromacs.bioexcel.eu/u/bratin)  
> April 22 |
> 
> - | - |

GROMACS version: 2022  
GROMACS modification: No  
Dear all,  
During the installation of GROMACS-2022 in cluster we are getting the following error

cmake … -DCMAKE\_INSTALL\_PREFIX=/apps/gromacs-2022 -DGMX\_BUILD\_OWN\_FFTW=ON -DREGRESSIONTEST\_DOWNLOAD=ON -DGMX\_FFT\_LIBRARY=fftw3 -DBUILD\_SHARED\_LIBS=ON -DGMX\_DOUBLE=ON -DGMX\_MPI=ON -DGMX\_GPU=ON  
– The C compiler identification is GNU 4.8.5  
– The CXX compiler identification is GNU 4.8.5  
– Check for working C compiler: /usr/bin/cc  
– Check for working C compiler: /usr/bin/cc – works  
– Detecting C compiler ABI info  
– Detecting C compiler ABI info - done  
– Detecting C compile features  
– Detecting C compile features - done  
– Check for working CXX compiler: /usr/bin/c++  
– Check for working CXX compiler: /usr/bin/c++ – works  
– Detecting CXX compiler ABI info  
– Detecting CXX compiler ABI info - done  
– Detecting CXX compile features  
– Detecting CXX compile features - done  
– Could NOT find Python3 (missing: Python3\_EXECUTABLE Python3\_LIBRARIES Python3\_INCLUDE\_DIRS Interpreter Development) (Required is at least version “3.7”)  
CMake Error in /apps/scratch/compile/gromacs-2022/build22042022/CMakeFiles/CMakeTmp/CMakeLists.txt:  
Target “cmTC\_8bbf1” requires the language dialect “CXX17” , but CMake does  
not know the compile flags to use to enable it.

CMake Error at cmake/gmxDetectTargetArchitecture.cmake:43 (try\_compile):  
Failed to generate test project build system.  
Call Stack (most recent call first):  
CMakeLists.txt:168 (gmx\_detect\_target\_architecture)

– Configuring incomplete, errors occurred!  
See also “/apps/scratch/compile/gromacs-2022/build22042022/CMakeFiles/CMakeOutput.log”.

Why this error is coming? Is it because of older version of the operating system? We have CentOS Linux 7. Please help me in this regard
