- Email: Mark.J.Abraham@gmail.com
- Registered on:
- Last connection: 04/25/2017
- 09:53 AM GROMACS Bug #2136: mdrun -noconfout checkpointing issue
- Berk Hess wrote:
> My request was rather the other way around. I'd rather not have a confout.gro at all. What's the ...
- 09:12 AM GROMACS Task #2123 (Closed): Use RAII for file-static data
- I think I did all I meant to do here
- 08:13 PM GROMACS Task #2059: Separate different types of data in t_state
- I imagine there's more to do here, but not for this release.
- 12:09 PM GROMACS Task #653: Extend options module for use in the selection engine
- Is more work needed here? Bump to 2018 version?
- 11:56 AM GROMACS Task #2012 (Closed): Bump required version numbers of infrastructure
- 06:54 PM GROMACS Bug #2164: SIMD sqrt in double-precision build does not work correctly
- It's quite reasonable to say we clamp either sqrt or rsqrt to zero when the value is super small. We could choose not...
- 12:34 PM GROMACS Bug #2136: mdrun -noconfout checkpointing issue
- You should have heard the screaming when I proposed removing mdrun -nsteps x in favour of mdrun -s x.tpr
- 09:20 AM GROMACS Revision 51558bf6: Clean up memory usage with oenv and xvg writing
- Change-Id: I41386eaa7a045d115599b8f8a1839d12f7e4400d
- 12:17 AM GROMACS Bug #2162: AVX(2) double precision reduce is actual single precision
- Szilárd Páll wrote:
> Mark Abraham wrote:
> > releng/environment.py has other relevant things, so perhaps the updat...
- 11:30 PM GROMACS Bug #2162: AVX(2) double precision reduce is actual single precision
- Mark Abraham wrote:
> Szilárd Páll wrote:
> > Mark Abraham wrote:
> > > Szilárd Páll wrote:
> > > > As discussed ...
Also available in: Atom