Requesting help for gromacs 2020.1 installation

GROMACS version:2020.1
GROMACS modification: Yes/No
Here post your question How to install gromacs 2020.1 having issues while installing

Hi,
I guess the problem is that you have -DREGRESSIONTEST_DOWNLOAD=ON in the cmake command line. The tool is trying to download the regression test from a location that does not exist any more ( see Installing older versions fails due to inaccessible regression test)
You can remove -DREGRESSIONTEST_DOWNLOAD=ON from cmake command line and download the regression test manually.
I hope it helps
\Alessandra

I did try but again this is coming I even tried removing the whole line but still the problem is same

Please copy and paste directly from your terminal into your messages. Include the full command you issued and all relevant screen output. It is impossible to work from partial pictures of a screen.

viper@DESKTOP-9FKIJAH:~/Downloads/gromacs-2020.1/build$ cmake … -DGMX_BUILD_OWN_FFTW=ON
– The GROMACS-managed build of FFTW 3 will configure with the following optimizations: --enable-sse2;–enable-avx;–enable-avx2
CMake Deprecation Warning at src/external/googletest/CMakeLists.txt:1 (cmake_minimum_required):
Compatibility with CMake < 2.8.12 will be removed from a future version of
CMake.

Update the VERSION argument value or use a … suffix to tell
CMake that the project does not need compatibility with older versions.

CMake Deprecation Warning at src/external/googletest/googlemock/CMakeLists.txt:41 (cmake_minimum_required):
Compatibility with CMake < 2.8.12 will be removed from a future version of
CMake.

Update the VERSION argument value or use a … suffix to tell
CMake that the project does not need compatibility with older versions.

CMake Deprecation Warning at src/external/googletest/googletest/CMakeLists.txt:48 (cmake_minimum_required):
Compatibility with CMake < 2.8.12 will be removed from a future version of
CMake.

Update the VERSION argument value or use a … suffix to tell
CMake that the project does not need compatibility with older versions.

– Could NOT find Doxygen (missing: DOXYGEN_EXECUTABLE)
– Doxygen not found. Documentation targets will not be generated.
CMake Error at tests/CMakeLists.txt:103 (message):
REGRESSIONTEST_PATH invalid. The path needs to contain gmxtest.pl.

– Configuring incomplete, errors occurred!
See also “/home/viper/Downloads/gromacs-2020.1/build/CMakeFiles/CMakeOutput.log”.
See also “/home/viper/Downloads/gromacs-2020.1/build/CMakeFiles/CMakeError.log”.

viper@DESKTOP-9FKIJAH:~/Downloads/gromacs-2020.1/build$ make
make check
sudo make install
source /usr/local/gromacs/bin/GMXRC
make: *** No targets specified and no makefile found. Stop.
make: *** No rule to make target ‘check’. Stop.
[sudo] password for viper:
make: *** No rule to make target ‘install’. Stop.
-bash: /usr/local/gromacs/bin/GMXRC: No such file or directory
viper@DESKTOP-9FKIJAH:~/Downloads/gromacs-2020.1/build$

Pls help me

Sayan Manna

Hi
you got an error in running the first command

cmake … -DGMX_BUILD_OWN_FFTW=ON

First it good to fix the problem with cmake and then you can run:

make
make check
sudo make install

You could check if you fullfill all the requirements of the quick and dirty installation, you find them in the INSTALL file in the gromacs directory. For example it could be that you use a cmake version.

I hope it helps
Alessandra

It is still not working

Hi,
Sorry could you explain what did you change in the procedure?
Did you update cmake version?
\Alessandra

Yes, it’s done.

Sayan Manna