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
M.
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