Mark Abraham

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  • Last connection: 11/22/2014

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Reported issues: 141

Today

05:38 PM Gromacs Bug #1421: sc-coul manual description is incorrect
Does the patch in Gerrit suit, Szilard?
05:37 PM Gromacs Bug #1626 (Resolved): trjcat segfaults when converting xtc/trr -> tng
Indeed Jan, trjcat has now been modified to require TNG input in order to produce TNG output. Thanks!

11/20/2014

06:59 PM Gromacs Feature #1165: Multi-SIMD binaries
A further option when gcc 5 is out might be https://gcc.gnu.org/wiki/JIT. Not as good as the real thing, but the bits...

11/18/2014

06:01 PM Gromacs Feature #1641: Add toolchain file for Cray systems
I have updated https://gerrit.gromacs.org/#/c/4188/, after separating out the non-Cray-specific issues.
04:26 PM Gromacs Feature #1641: Add toolchain file for Cray systems
Justin Cook wrote:
> I'd be happy to help improve the default build behavior and performance.
>
> Internally at C...
04:22 PM Gromacs Bug #1624: complex/nbnxn_vsite regressiontest fails when doing CPU-only rerun
Szilárd Páll wrote:
> Mark Abraham wrote:
> > Szilárd Páll wrote:
> > > Hopefully it's fixed, I'm still quite puzz...

11/17/2014

03:22 PM Gromacs Bug #1624: complex/nbnxn_vsite regressiontest fails when doing CPU-only rerun
Szilárd Páll wrote:
> Hopefully it's fixed, I'm still quite puzzled, how did this pass manual and automated testing....

11/16/2014

09:03 PM Gromacs Feature #1612: generating SIMD code
Roland Schulz wrote:
> Why is i manually (partially) unrolled in the 4xn/2xnn kernels?
It permits the implementat...

11/12/2014

04:35 AM Gromacs Feature #1641: Add toolchain file for Cray systems
Hi Justin,
Things have been not-quite-right-enough on some Crays for some time, so some discussion is most welcome...

10/30/2014

11:50 PM Gromacs Bug #1633 (New): mdrun -nsteps -1 reports silly numbers
The execution of mdrun is OK, but the reporting on stdout (and similarly in the log file) has:...

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