Efrat Exlrod wrote:
Hi,
I want to install standard gromacs 4.5.5 on a new linux machine, prior
to installing GPU accelerated gromacs. Looking at the installation
instructions I see you recommend not to use GCC 4.1.x series of compilers.
A year ago I have installed gromacs 4.5.3 and I don't recall seeing the
recommendation of not using the GCC 4.1.x compilers. The gcc version of
The warning about the gcc compilers has been on the website for several years.
the computer on which I installed is:
/usr/bin/gcc -v ==> /u/gcc version 4.1.2 20080704 (Red Hat 4.1.2-51).
Is there also a problem with gromacs 4.5.3 and GCC 4.1.x? Was I supposed
to have trouble installing or running?
As I recall, the bug was in gcc and it led to various random failures of
different tools. Perhaps others with more knowledge of the compilers themselves
can comment. Upgrading gcc is a good idea; the 4.1.x is quite outdated.
Is it possible I was able to compile and run but I can't rely on the
results I got?
Possible. More likely you would get random instability rather than some hidden
inaccuracy.
-Justin
Thanks, Efrat
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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