[gmx-users] Gromacs libraries: same for both single and double precision builds?

Mark Dixon m.c.dixon at leeds.ac.uk
Tue Oct 19 12:17:51 CEST 2010


I'm installing GROMACS 4.5.1 on our Intel Nehalem/InfiniBand cluster and 
wish to install both single and double precision versions.

Am I correct in thinking that the same libraries are built, both with or 
without "--enable-double", and it's just the binaries that are different 
(and therefore all packaging issues are solved by use of the 
"--program-suffix" option)?

I'm planning on building both precisions in the same install - possibly 
with "--enable-shared" - and I want to double-check I can use the same 
library files.


Mark Dixon                       Email    : m.c.dixon at leeds.ac.uk
HPC/Grid Systems Support         Tel (int): 35429
Information Systems Services     Tel (ext): +44(0)113 343 5429
University of Leeds, LS2 9JT, UK

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