Error while installing Gromacs 2020.4

GROMACS version: 2020.4
GROMACS modification: No

Hello, I am trying to install Gromacs 2020.4 on a computer (Linux CentOS) I have access to, remotely, using ssh. I am installing the CPU version, and receive the following error when installing it -

error: use of deleted function ‘std::unique_ptr<_Tp, _Dp>::unique_ptr(const std::unique_ptr<_Tp, _Dp>&) [with _Tp = gmx::StopHandlerBuilder; _Dp = std::default_deletegmx::StopHandlerBuilder]’
using ISimulator::ISimulator;
In file included from /opt/gcc/6.1.0/snos/include/g++/memory:81:0,
from /home/gromacs-2020.4/src/gromacs/mdrun/runner.h:48,
from /home/gromacs-2020.4/src/gromacs/mdrun/runner.cpp:46:
/opt/gcc/6.1.0/snos/include/g++/bits/unique_ptr.h:356:7: note: declared here
unique_ptr(const unique_ptr&) = delete;

I am not familiar with any of this, and am very new to installing software on Linux machines. Any help would be highly appreciated. Thank you!


the oldest gcc we are using in our testing is version 6.5.0. It might be
that 6.1.0 didn’t have all the C++14 features available yet and fails
due to that.

Can you use a more modern toolchain?




Thanks for the reply. I checked the machine and it had gcc 6.3.0, which seemed to work. Thank you! I (I tried using gcc 8.2.0 first, but the cudatoolkit version was not compatible with that, so had to resort to using gcc 6.3.0). Thank you so much!