Problem with the Gromacs installation on Ubuntu 20.4

User discussions
1

GROMACS version: gromacs-2022.4/
GROMACS modification: No

Here is the error recieved at the end of the compilation of the gromacs produced by MAKE:
[100%] Built target scanner

[100%] Built target libgromacs
[100%] Built target gmxapi
[100%] Built target nblib
[100%] Linking CXX executable …/…/…/bin/methane-water-integration
/usr/bin/ld: /home/enrico/Desktop/MD_229e/gromacs-2022.4/build/lib/libgromacs.so.7: undefined reference to srot_' /usr/bin/ld: /home/enrico/Desktop/MD_229e/gromacs-2022.4/build/lib/libgromacs.so.7: undefined reference to strsm_’
collect2: error: ld returned 1 exit status
make[2]: *** [api/nblib/samples/CMakeFiles/methane-water-integration.dir/build.make:87: bin/methane-water-integration] Error 1
make[1]: *** [CMakeFiles/Makefile2:4767: api/nblib/samples/CMakeFiles/methane-water-integration.dir/all] Error 2
make: *** [Makefile:163: all] Error 2

Alternatively I’ve tried to install Gromacs using apt-get but it installed the version 2020.1 which have a bug in the xpm2ps utility.

How could I resolve my issue ? Are there any possibilities to update from 2020.1 to any versions that fixed the xpm2ps on the ubuntu 20.4?

Many thanks in advance
Enrico

2

I am facing the same problem.

3

Hi! Have you tried using the solution from Regarding the error undefined reference to `srot_', `strsm_'? For Ubuntu, the analogous command would be sudo apt install libblas-dev liblapack-dev

4

i used make -j12 (number of thread in cpu) and compiled successfully.