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Jiri Kraus

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08/15/2017

04:38 PM GROMACS Revision 97f9f399: CUDA 9/Volta support for the nonbonded module
The Volta architecture introduces independent thread scheduling. This
new architectural feature breaks implicit warp ...

06/26/2017

12:06 PM GROMACS Revision bf4589ee: Updated application clock handling on Pascal+ GPUs
Starting with Pascal (CC >= 6.0) it is no longer possible to change
application clocks without root privileges. With ...

05/29/2017

07:50 PM GROMACS Revision 0f541787: Update FindNVML to fix #2061
Fixes FindNVML to reflect move of the NVML development files from the
GDK to the CUDA Toolkit with CUDA 8.
Change-Id...

12/08/2016

10:17 AM GROMACS Bug #2085: mdrun crashes with segmentation fault if started with more than 32 OpenMP threads.
Berk Hess wrote:
> I can't reproduce this with GMX_OPENMP_MAX_THREADS=64 on x86.
> Could you run a debugger to see ...

11/30/2016

11:15 AM GROMACS Bug #2085 (Closed): mdrun crashes with segmentation fault if started with more than 32 OpenMP threads.
I build GROMACS 2016.1 with CUDA 8 and GCC 5.4.0 using the following configure command:...

06/15/2016

03:30 PM GROMACS Bug #1991 (Closed): Automatic launch configuration does not work as expected if Hyper Threading is disabled in the Kernel
When Hyper Threading (HT) is disabled in the Kernel (not BIOS) GROMACS detects that only the physical cores are onlin...

06/03/2016

10:57 PM GROMACS Bug #1846: NVML management resets GPU application clocks rather than restoring
Application Clocks is a global setting so the setting will what ever was last set.

06/01/2016

01:27 PM GROMACS Bug #1846: NVML management resets GPU application clocks rather than restoring
Sorry for replying late. I will try to clarify some of the discussed questions. As I have some deadlines approaching ...

09/01/2015

12:22 PM GROMACS Bug #1810: Automatic thread pinning on systems with uncommon core numbering has a very bad effect on performance
The hardware thread order did not change (see attached files).

08/27/2015

10:31 AM GROMACS Bug #1810: Automatic thread pinning on systems with uncommon core numbering has a very bad effect on performance
After the system were this happened was reinstalled the issue could not be reproduced. So I think this can be closed.

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