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Jeff Hammond

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09/23/2013

06:01 PM GROMACS Feature #1064: Optimised kernel for BlueGene/Q
The bgxl* compilers are for the Blue Gene compute nodes. That's the reason for the bg* prefix. On Blue Gene systems...
05:05 PM GROMACS Feature #1064: Optimised kernel for BlueGene/Q
Just to be clear, you are saying that CMake cannot autodetect the POWER7/Linux login node environment properly? What...

09/18/2013

12:11 AM GROMACS Feature #1064: Optimised kernel for BlueGene/Q
Okay, I understand it now. My understanding of what goes into a (full) implementation of MPI was brain-blocking me f...
06:38 PM GROMACS Feature #1064: Optimised kernel for BlueGene/Q
Ah, so that's the workaround when MPI thread support is not present. Yeah, that's pointless on any decent MPI implem...
05:22 PM GROMACS Feature #1064: Optimised kernel for BlueGene/Q
Sorry, but I do not understand what is meant by "prohibit thread-MPI entirely". I don't see any indication in this t...

08/13/2013

12:29 AM GROMACS Feature #1064: Optimised kernel for BlueGene/Q
ALCF would be happy to beta test. Just tell me the git branch to checkout and I'll get some users to try it out.
...

06/25/2013

04:05 PM GROMACS Bug #1284 (Resolved): syntax error in src/gromacs/legacyheaders/thread_mpi/atomic/xlc_ppc.h
Applied in changeset commit:7d5861d0f07e7b3ba8b954db863e660fceed6a5f.
04:03 PM GROMACS Revision 7d5861d0: Fix declaration that XLC rejected
Changed volatile void* volatile* declarator to volatile void* volatile.
Fixes #1284
Change-Id: I133f480b060ab472398...

06/20/2013

06:31 PM GROMACS Bug #1284: syntax error in src/gromacs/legacyheaders/thread_mpi/atomic/xlc_ppc.h
I don't fully understand the casting here but if it compiles and runs correctly, that's all the proof I need. I will...
04:15 PM GROMACS Bug #1283 (Resolved): minor improvements to BGQ toolchain files
Applied in changeset commit:6fd98a0179fe3328b6c0702d8bae4b4e05eca22d.

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