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- 03:05 PM GROMACS Bug #2075: ICC17u1 on KNL fails ED regressiontest
- Probably not.
- 02:45 PM GROMACS Revision 960bfd69: Introduce helper classes for force provider input and output
- This patch introduces two structs, ForceProviderInput and ForceProviderOutput,
which are used for calling IForceProvi...
- 05:03 PM GROMACS Feature #2426 (In Progress): Trajectory analysis tool for functional mode analysis by partial least squares fitting (PLS-FMA)
- *What is functional mode analysis?*
Functional mode analysis (FMA) is a technique to identify collective atomic mo...
- 05:19 PM GROMACS Bug #2404: Enabling floating point exceptions makes some tests fail
- Mark Abraham wrote:
> Swap code has been known to divide by zero (used to be reproducibly broken on bluegene, becaus...
- 11:46 AM GROMACS Revision 84cc59e5: Fix a few typos in SIMD documentation
- Change-Id: Ia64f936098172eb4e13d3bacf1caa824c43779fc
- 03:13 PM GROMACS Revision 40f39bea: Destruct MDModules/force providers prior to calling free_gpu()
- With the current code mdModules gets out of scope at the end of mdrunner,
which also triggers the destruction of the ...
- 01:58 AM GROMACS Revision c1326cd3: Fix electric field .mdp documentation
- Typo accidentally introduced in ca9e2450877d00e49
- 03:00 PM GROMACS Bug #2312: GROMACS-2018 beta-1 does not compile in double with AVX_512
- I also get the same error as Mark and Roland with GCC 4.8.5 during cmake.
It turns out I reported the wrong compil...
- 06:21 PM GROMACS Bug #2312: GROMACS-2018 beta-1 does not compile in double with AVX_512
- Yes, I can confirm that. Just tested with gcc-5.4.0 and 7.2.0, both compile now and pass the SIMD unit tests. I just ...
- 04:14 PM GROMACS Bug #2312: GROMACS-2018 beta-1 does not compile in double with AVX_512
- Sorry, my bad.
Right, now I get another error message (GCC 7.2.0):
[ 70%] Building CXX object src/gromacs/CMak...
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