[gmx-users] How can I determine how Gromacs was compiled?

Mirco Wahab mirco.wahab at chemie.tu-freiberg.de
Wed Apr 15 19:41:01 CEST 2015

On 15.04.2015 18:41, Andrew DeYoung wrote:
> Hi,
> I'm running Gromacs 4.5.5.  Is there a way to determine how Gromacs was
> compiled on my system?  I would like to know whether the person who
> compiled Gromacs used gcc or icc (both compilers are available and were
> presumably available when the compilation occurred) and, if possible, what
> version of FFTW they used.  Is there a file or a command that has this
> information?

what does:

   mdrun | less md.log

(in any directroy) say?

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