[gmx-users] Query to display Gromacs compile time settings?

Mark Abraham Mark.Abraham at anu.edu.au
Fri Dec 15 23:56:07 CET 2006

Michael John Hanby wrote:
> Howdy,
> I’m a sysadmin tasked with installing Gromacs on some of our clusters.
> Is there any way I can query an existing Gromacs install to see what 
> options were enabled at compile time? (sort of like laminfo for LAM)?

If you still have the configure/make directory intact, then head 
config.log will provide you with the original configure command line 
(although you may need to re-insert some quotation marks e.g. 
LDFLAGS="-L/weird/lib -lmyweirdlib")

If not, then I don't believe it is possible.


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