[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

I am CC'ing this message to the general gmx-users list.  The gmx-developers list 
is for discussion about development.  Please send anything further via gmx-users.

See comments below.

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, 
> Ana 
> ------------------------------------------------------------------------
> This e-mail message (including any attachments) is for the sole use of
> the intended recipient(s) and may contain confidential and privileged
> information. If the reader of this message is not the intended
> recipient, you are hereby notified that any dissemination, distribution
> or copying of this message (including any attachments) is strictly
> prohibited.
> If you have received this message in error, please contact
> the sender by reply e-mail message and destroy all copies of the
> original message (including attachments).


Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


More information about the gromacs.org_gmx-developers mailing list