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

[Erik Lindahl]

Hi,

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...

Cheers,

Erik

On Dec 15, 2006, at 11:56 PM, Mark Abraham wrote:

> 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.
>
> Mark
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