GROMACS development

08/13/2013

08:55 PM GROMACS Bug #1254: a likely mdrun memory corruption/race condition

Applied in changeset commit:78569369348e07a300a03f90e667e61879858025.

08:55 PM GROMACS Bug #1270: affinity setting broken with MPI

Applied in changeset commit:78569369348e07a300a03f90e667e61879858025.

07/01/2013

08:03 PM GROMACS Revision 78569369: Comprehensive hwinfo structure concurrency fix.

The hwinfo structure and structures contained therein are inherently
global to any mdrun processes/ranks. This patch ...

06/17/2013

04:47 PM GROMACS Bug #1284: syntax error in src/gromacs/legacyheaders/thread_mpi/atomic/xlc_ppc.h

BTW I don't have easy access to an xlc compiler so would you mind trying that?

04:46 PM GROMACS Bug #1284: syntax error in src/gromacs/legacyheaders/thread_mpi/atomic/xlc_ppc.h

Actually,
volatile void* volatile p;
is valid C syntax, which means: treat both the pointer value and the item...

03:15 PM GROMACS Bug #1284: syntax error in src/gromacs/legacyheaders/thread_mpi/atomic/xlc_ppc.h

This is unfortunately not a typo :-( It's what made the atomics work - in a previous version of the xlc compiler. The...

06/13/2013

09:45 AM GROMACS Revision 69c52439: Fixed an initialization issue in gmx_dipoles.

This fixes a warning in gcc 4.7
Change-Id: Ief8a057dff24c9a61c20301215a7009c2a16e74a

06/04/2013

11:31 AM GROMACS Revision 6c716dd6: Fixed inconsistent locality_order array for thread affinity.

The locality_order array from gmx_cpuid (determining which threads
map onto which processors) is inconsistent if run ...

11:27 AM GROMACS Revision fa322987: Fixed deadlock on Mac OS X during thread affinity check.

During thread affinity setting, an erroneous #ifndef APPLE caused the Mac OS X
binary to enter the code path that ass...

06/03/2013

03:11 PM GROMACS Bug #1254 (In Progress): a likely mdrun memory corruption/race condition

After speaking to Szilárd, I just realized another source of deadlocks for problem #2. Will come with a fix shortly.