General

Profile

Erik Lindahl

  • Email: erik@kth.se
  • Registered on:
  • Last connection: 08/15/2018

Issues

Projects

Activity

08/15/2018

05:20 PM GROMACS Bug #2397: Difference between single rank and multiple rank when pulling using constraints relative to rest of the system
If it causes silent incorrect results I think we need to add it, patch release or not?

08/14/2018

01:30 PM GROMACS Bug #2588 (Resolved): anyTrue(SimdDIBool) implementation for AVX_256, double precision
Applied in changeset commit:c8e885b41c32fdb3ce0b9dc748819e11de7a8c48.
10:33 AM GROMACS Revision c8e885b4: Fix SIMD anyTrue bug, and add better unit test
The double precision versions could occasionally
miss elements.
Fixes #2588.
Change-Id: Ie033a3af0e5de2520553386806...

08/13/2018

02:52 PM GROMACS Bug #2588 (Fix uploaded): anyTrue(SimdDIBool) implementation for AVX_256, double precision

08/03/2018

02:48 PM GROMACS Task #2539: Support hwloc 2.x.x
I would leave the release branch alone, because every single change we make there comes with the risk of introducing ...

06/13/2018

06:51 PM GROMACS Feature #2545: Should grompp fix periodicity of input files?
.... But that still leaves the danger if somebody tries to fit a periodic molecule we did not make whole (not to ment...

06/06/2018

12:51 PM GROMACS Revision d4947527: Use default CMake path variables
Remove our homegrown path variables for binaries, libraries,
manpages and data in favor of the ones documented as par...
10:15 AM GROMACS Bug #2541 (Resolved): BUILD_OWN_FFTW fails regression tests
Applied in changeset commit:c17474b3a82a544b5a145baf73285e7c321495ed.
09:48 AM GROMACS Revision c17474b3: Bump GMX_BUILD_OWN_FFTW to 3.3.8 to avoid bugs
FFTW-3.3.8 seems to fix build errors with AVX-512, and
as reported on the FFTW web page it also removes the -ffast-ma...

06/05/2018

10:37 PM GROMACS Feature #2545: Should grompp fix periodicity of input files?
If we think about this from the user's point-of-view, he or she will typically just be asking "fit frame X on the ref...

Also available in: Atom