[gmx-users] does gromacs-4.6 support intel core Quad Q9550 cpu?

Mirco Wahab mirco.wahab at chemie.tu-freiberg.de
Thu Sep 25 13:36:15 CEST 2014

On 25.09.2014 12:16, Vedat Durmaz wrote:
> gromacs version 4.6.5 debian/ubuntu binaries from the ubuntu repositories.
> when we start mdrun, we get an german error message saying:
> "ungültiger maschinenbefehl" (something like "invalid machine command").
> when searching the internet i got the feeling that this has something to
> do with the cpu.
> cat /proc/cpuinfo yields (among others):

Does it crash immediately or does mdrun start to write a md.log
file before it stops?

You then need the output from md.log where it says for which CPU-
architecture the gromacs binary has been compiled (optimized)
by the ubuntu maintainer.

If the maintainer's machine supported AVX and he didn't
explicitly select a "lower" instruction set, the binary
will crash on any machine not supporting AVX.

my € 0.02


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