[gmx-developers] installing the parallel version of Gromacs 3.3.1

West, Ana awest5 at emory.edu
Mon May 2 16:14:05 CEST 2011

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?

Thank you,


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