[gmx-developers] installing the parallel version of Gromacs 3.3.1
Justin A. Lemkul
jalemkul at vt.edu
Mon May 2 16:56:19 CEST 2011
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West, Ana wrote:
> Dear Gromacs Community,
> I attempted to install the parallel version of Gromacs 3.3.1 on a
> machine with the x86-64 architecture and 8 core AMD Opteron processors.
> The operating system is openSusie 11.3. During my attempt I used the
> following set of commands:
> ./configure --prefix=/usr/local/packages/gromacs-3.3.1
> --enable-mpi CC=icc CXX=icpc F77=ifort
> make mdrun
> make mdrun install
> The version of the three compilers is 12.0.3. The installation seemed
> unsuccessful. In the 'config.log' file the fatal error message reads as :
> "Fatal Error: This program was not built to run on the processor in your
> system. The allowed processors are: Intel(R) Pentium(R) 4 and compatible
> Intel processors with Intel(R) Streaming SIMD Extensions 3 (Intel(R)
> SSE3) instruction support."
> Could someone please provide me with some kind advice?
Your hardware is too new to install the (archaic!) version of Gromacs you're
trying to use. I suspect you would have more success with a version of Gromacs
that is not five years old.
Either use a newer version of Gromacs, or find a slower machine.
> Thank you,
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Justin A. Lemkul
ICTAS Doctoral Scholar
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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