Mark Abraham

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  • Last connection: 03/18/2015

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Reported issues: 156

03/18/2015

10:19 AM Gromacs Bug #1708 (Fix uploaded): MAXSLEN error message specifies incorrect file location
Fixed issue, and s/MAXLENS/MAXSLEN/g in OP
10:13 AM Gromacs Bug #1701 (Fix uploaded): mdrun signalling not working properly (maybe?)
07:55 AM Gromacs Bug #1701: mdrun signalling not working properly (maybe?)
It is definitely the commit I mentioned. With...

03/17/2015

03:12 PM Gromacs Bug #1705: trjcat append feature is broken
Turns out there's an existing probably-unrelated problem with concatenating xtc files, probably only in trivial case ...
02:08 PM Gromacs Bug #1705 (In Progress): trjcat append feature is broken
Sergei Khruschev wrote:
> Well, looking through lines 650-750 of gmx_trjcat.c I cannot see any attempt to open outpu...

03/16/2015

06:31 AM Gromacs Bug #1704: Multiple dihedrals v5.0.2
Agree with Justin. If Roberto still finds there is an issue, then please attach a tarball of the complete set of inpu...
06:00 AM Gromacs Bug #1706 (New): NVML message reports wrong version
The new NVML support needs work on at least one information message. I see...

03/06/2015

07:56 PM Gromacs Bug #1701: mdrun signalling not working properly (maybe?)
So far I can only reproduce this on BG/Q, in Release build, and not in Debug or RelWithDebInfo builds. git revert on ...
07:18 PM Gromacs Bug #1703 (New): be less vocal about affinity where it is not relevant
On (at least) BG/Q and (I think) PowerPC generally, mdrun does issue various warnings about affinity setting that are...

03/05/2015

05:47 PM Gromacs Bug #1701 (Fix uploaded): mdrun signalling not working properly (maybe?)
Some recently merged commit is leading to mdrun trying to checkpoint too often. The obvious suspect would be my 4ed54...

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