[gmx-users] Unable to install 5.1.14

Vytautas Rakeviius vytautas1987 at yahoo.com
Mon Aug 28 08:42:46 CEST 2017

You have updated boost so you have to update GROMACS too. 2016.3 is the latest version you should download it.
Another possibility is to downgrade boost to older, but you can bump into other mish-mash issues. I do not recommend that.

On Sunday, August 27, 2017, 11:36:21 PM GMT+3, Rajat Desikan <rajatdesikan at gmail.com> wrote:

Dear All,
I had removed gromacs 5.1.14. from my system (Ubuntu 16.04) a while ago,
and I'm having trouble reinstalling it. Cmake runs fine, but the system
repeatedly fails in the make step with this weird error:

[  3%] Building CXX object src/gromacs/CMakeFiles/
[  3%] Building CXX object src/gromacs/CMakeFiles/
In file included from /usr/local/include/boost/exception/detail/exception_
                from /usr/local/include/boost/exception_ptr.hpp:9,
                from /home/entropy/Downloads/gromacs-5.1.4/src/gromacs/
                from /home/entropy/Downloads/gromacs-5.1.4/src/gromacs/
/usr/local/include/boost/exception/info.hpp: In member function ‘virtual
boost::exception_detail::type_info_&) const’:
/usr/local/include/boost/exception/info.hpp:102:28: error: use of deleted
function ‘boost::shared_ptr<boost::exception_detail::error_info_base>::shared_ptr(const
                    return p;
In file included from /usr/local/include/boost/shared_ptr.hpp:17:0,
                from /home/entropy/Downloads/gromacs-5.1.4/src/gromacs/
                from /home/entropy/Downloads/gromacs-5.1.4/src/gromacs/
/usr/local/include/boost/smart_ptr/shared_ptr.hpp:168:25: note:
boost::shared_ptr<boost::exception_detail::error_info_base>&)’ is
implicitly declared as deleted because ‘boost::shared_ptr<boost::
exception_detail::error_info_base>’ declares a move constructor or move
assignment operator

There are similar errors after this, and make fails. I have updated boost
on my system (version 58), and my system has the latest upgrades. Can
anyone please point out the way ahead? I've exhausted all easy options (Eg.
cleanly remove all gromacs associated files, redownload, untar and try to

My cmake command is:
-DCMAKE_INSTALL_PREFIX=/usr/local/gromacs514 -DGMX_USE_RDTSCP=off

I've tried other permutations of the above command (without
for instance) and nothing seems to work.

Thank you for your time.


Dr. Rajat Desikan (Post Doctoral Fellow)
Prof. Narendra M Dixit's Lab (no 1),
Dept. of Chemical Engineering,
Indian Institute of Science, Bangalore
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