[gmx-users] How can I determine how Gromacs was compiled?
pall.szilard at gmail.com
Wed Apr 15 19:51:21 CEST 2015
On Wed, Apr 15, 2015 at 7:32 PM, Mirco Wahab
<mirco.wahab at chemie.tu-freiberg.de> wrote:
> On 15.04.2015 18:41, Andrew DeYoung wrote:
>> 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
> what does:
> mdrun | less md.log
> (in any directroy) say?
AFAIR we added the "-version" information to the log (and extended it)
in v4.6, so that will likely not help.
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