Mark Abraham

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  • Last connection: 05/21/2015

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Reported issues: 161

Today

02:59 AM Gromacs Bug #1747 (Fix uploaded): gmx solvate clobbers temp.top (not given as a command line input)
Thanks for the report.
This and some other tools have used the name "temp.top" (since pre-3.3 GROMACS) as the inte...

05/22/2015

04:26 PM Gromacs Feature #1744: Add C preprocessor like functionality to mdp files
There'd need to be some upgrade of the .mdp parsing gear, but at least in principle we could implement something like...

05/19/2015

09:18 PM Gromacs Bug #1740 (Fix uploaded): invalid use of gmx_simd_check_and_reset_overflow
09:10 PM Gromacs Bug #1740 (Fix uploaded): invalid use of gmx_simd_check_and_reset_overflow
I try to compile GROMACS 5.0.5 on Fujitsu PRIMEHPC FX-10 with the command
from installation instruction page
http:/...

05/15/2015

05:13 PM Gromacs Bug #1736 (Accepted): regressiontest check target's dependency on gmx is broken
I think the issue is in tests/CMakeLists.txt...

05/14/2015

11:38 AM Gromacs Bug #1735 (In Progress): BUILD_OWN_FFTW triggers no-SSE warning

05/13/2015

10:04 PM Gromacs Bug #1734: CUDA launch failure with empty domains
I double-checked, and both the 4.6->5.0 and 5.0->master merges passed verify without triggering the issue, which was ...
09:53 PM Gromacs Bug #1734: CUDA launch failure with empty domains
Yeah, in the car this afternoon Szilard thought of much the same thing as a theory about the reason for the instabili...
03:57 PM Gromacs Bug #1722 (Closed): gromacs/gmxpreprocess/readir.c:2436: bad if statement ?
03:57 PM Gromacs Bug #1733 (Closed): g_covar segmentation faults with fewer frames than #DOF

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