[gmx-users] Query to display Gromacs compile time settings?
lindahl at cbr.su.se
Sat Dec 16 21:17:41 CET 2006
I actually added code a year ago or so to display the compile host,
user, and time at the top of each gromacs log file, but having "all"
the options there is probably a pretty good idea, or at least a
command to retrieve it.
I'll have a look at LAM and see how they've done it...
On Dec 15, 2006, at 11:56 PM, Mark Abraham wrote:
> Michael John Hanby wrote:
>> I’m a sysadmin tasked with installing Gromacs on some of our
>> 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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