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

Andrew DeYoung adeyoung at andrew.cmu.edu
Wed Apr 15 18:52:09 CEST 2015


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

Thank you so much!

Andrew DeYoung
Carnegie Mellon University

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