GROMACS 2020.2 installing error at "make" step

GROMACS version:2020.2
GROMACS modification: No

Hi, could you give me some advises on installing?

I’m installing gromacs 2020.2. I passed configure phase successfully, and got error messages when I executed “make”. Here is the error and surrounding sentences;

Scanning dependencies of target release-version-info
[ 1%] Generating release version information
Traceback (most recent call last):
File “/misc/home/ikuma/gromacs-2020.2/admin/”, line 148, in
File “/misc/home/ikuma/gromacs-2020.2/admin/”, line 122, in main
import argparse
ImportError: No module named argparse
CMake Error at cmake/gmxGenerateVersionInfoRelease.cmake:121 (file):
file failed to open for reading (No such file or directory):


make[2]: *** [CMakeFiles/release-version-info] Error 1
make[1]: *** [CMakeFiles/release-version-info.dir/all] Error 2
make: *** [all] Error 2

Here is what I’m using as installing tools and detailed command to pass configure step;

gcc compiler version 5.3.1
cmake 3.19.6

…/…/cmake-3.19.6-Linux-x86_64/bin/cmake … -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON

I’m not sure what is the source of this error. I’m just following the default installing method, so I guess the source of error may be on my computer.

If you need any information to reply please let me know.
Thank you !


this seems to me that you do not have the argparse module for Python installed . You can install that, or skip the regression testing (which calls this module) by removing -DREGRESSIONTEST_DOWNLOAD=ON (or setting it to =OFF) from the command.


Hello, thank you for your reply Petter.

I installed gromacs 2020-2 successfully following your advise.
Thank you very much, again !