[gmx-users] Gromacs and Gcc5.2

Nicolas Cheron nicolas.cheron.boulot at gmail.com
Fri Oct 2 09:58:27 CEST 2015

Dear all,

I am wondering if there is an official statement regarding compiling
Gromacs with gcc5.2.0 (or any gcc from the 5.x branch). Is it recommended
or not? Should we expect improvements? I have tried quickly some small
benchmarks (with Gromacs 4.6.3 and Gromacs 5.1) and found improvement on
ns/day between 1 and 3% (with respect to gcc4.8.5).

Also, during compilation I get several warnings such as:

In file included from /usr/local/openmpi-gnu/include/mpi.h:253:0,
/usr/local/openmpi-gnu/include/mpi_portable_platform.h:374:34: warning:
invalid suffix on literal; C++11 requires a space between literal and
string macro [-Wliteral-suffix]


I don't think it is relevant and I am not worried about it, but just wanted
to check with you.

Thank you.


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