[gmx-developers] Slow PME with git master and gcc 4.3.3 & 4.3.4

Berk Hess hess at cbr.su.se
Fri May 14 16:43:48 CEST 2010


The PME code in git master is a lot faster than the current 4.0.7
release code.
However, there seems to be a bug in gcc version 4.3.3 and 4.3.4 (4.3.2
and 4.4.1 are fine)
that make the pme_solve part 5 times (!) slower than with proper
compiler versions.
This is between 10% and 20% of the total mdrun performance.
We are currently trying to figure out what triggers this issue and we
are sending
a bug report to the gcc mailing list.

I someone has a hint, please reply.


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