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Project
Tracker
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Subject
Assignee
Updated
Target version
7
GROMACS
Bug
Closed
High
Environment variable IAMCOOL crashes program luck
David van der Spoel
09/05/2005 05:39 PM
GROMACS - 3.3_rc1
45
GROMACS
Bug
Closed
High
pdb2gmx crashes when force field files in workdir
David van der Spoel
02/28/2006 01:58 PM
GROMACS - 3.3
50
GROMACS
Bug
Closed
High
grompp -check14 SEGVs
David van der Spoel
02/28/2006 09:51 AM
GROMACS - 3.3
53
GROMACS
Bug
Closed
High
Angle definitions maybe wrong in g_chi
David van der Spoel
04/02/2006 05:11 PM
GROMACS - 3.3
60
GROMACS
Bug
Closed
High
genion mixes up ions
David van der Spoel
03/30/2006 10:28 AM
GROMACS - CVS
63
GROMACS
Bug
Closed
High
eneconv produces NaN
David van der Spoel
08/21/2006 01:09 PM
GROMACS - 3.3
66
GROMACS
Bug
Closed
High
graph problem with distance restraints
David van der Spoel
04/14/2007 03:24 PM
GROMACS - 3.3.1
67
GROMACS
Bug
Closed
High
g_rdf has GROMOS atom names hardocoded
David van der Spoel
08/21/2006 01:28 PM
GROMACS - 3.3.1
69
GROMACS
Bug
Closed
High
x2top improvements
David van der Spoel
08/20/2006 02:43 PM
GROMACS - 3.3.1
71
GROMACS
Bug
Closed
High
grompp takes excessive time for large systems
David van der Spoel
07/21/2007 03:11 PM
GROMACS - 3.3.1
80
GROMACS
Bug
Closed
High
bug in avcsix calculation for dispersion correction
David van der Spoel
05/11/2006 08:43 AM
GROMACS - 3.3.1
85
GROMACS
Bug
Closed
High
mdrun with PME gives different results with MPI
David van der Spoel
09/11/2007 12:07 PM
GROMACS - 3.3.1
103
GROMACS
Bug
Closed
High
Possible problems in g_sas
David van der Spoel
09/21/2007 02:02 PM
GROMACS - 3.3.1
900
GROMACS
Bug
Closed
High
crash in OpenMP code.
Berk Hess
06/23/2012 06:46 PM
GROMACS - 4.6
2844
GROMACS
Bug
Closed
High
Test SEGV with -DGMX_DOUBLE due to LAPACK
David van der Spoel
02/05/2019 07:01 PM
GROMACS - 2020
1837
GROMACS
Feature
Closed
High
Design of new table classes
David van der Spoel
03/17/2018 12:31 AM
2071
GROMACS
Task
In Progress
High
Low accuracy default settings yield incorrect liquid densities
Berk Hess
01/05/2018 03:32 PM
181
GROMACS
Bug
Closed
Normal
Pressure scaling distorts dodecahedron boxes
Erik Lindahl
02/18/2016 11:59 PM
GROMACS - 3.3.1
206
GROMACS
Bug
Closed
Normal
Protein atom naming in pdb files incorrect
David van der Spoel
10/08/2008 02:38 AM
GROMACS - CVS
214
GROMACS
Bug
Closed
Normal
Configure fails in 64 bit
Erik Lindahl
10/08/2008 07:11 AM
GROMACS - 4.0_rc1
224
GROMACS
Bug
Closed
Normal
grompp does not process encads topologies correctly
Erik Lindahl
10/08/2008 05:40 PM
GROMACS - 4.0_rc1
274
GROMACS
Bug
Closed
Normal
Crashes in mdrun with DD code, not sequential
Berk Hess
01/06/2009 03:35 PM
GROMACS - 4.0_rc1
434
GROMACS
Bug
Closed
Normal
pdb2gmx opens all rtp files
Erik Lindahl
06/14/2010 03:42 PM
GROMACS - CVS
440
GROMACS
Bug
Closed
Normal
Double precision man pages are installed as program_d.1
David van der Spoel
09/01/2010 10:22 PM
GROMACS - CVS
520
GROMACS
Bug
Closed
Normal
Editconf with index can not do other things
David van der Spoel
08/31/2010 10:42 AM
GROMACS - CVS
523
GROMACS
Bug
Closed
Normal
g_rms gives nonsense values when the number of atoms differs between tpr and xtc
David van der Spoel
08/31/2010 12:06 PM
GROMACS - CVS
564
GROMACS
Bug
Closed
Normal
g_dipoles has a memory hole
David van der Spoel
09/20/2010 01:51 PM
GROMACS - 4.5.1
579
GROMACS
Bug
Closed
Normal
nstcalcenergy = -1 leads to wrong pressure
Erik Lindahl
10/05/2010 12:43 PM
GROMACS - 4.5.1
608
GROMACS
Bug
Closed
Normal
Molecules with large charge groups give wrong neighborlist
David van der Spoel
11/02/2010 06:18 PM
GROMACS - 4.0.7
620
GROMACS
Bug
Closed
Normal
Total dipole in energy files is incorrect
12/28/2012 08:15 PM
GROMACS - 4.6
713
GROMACS
Bug
Closed
Normal
MD with polarization does not work in parallel
David van der Spoel
01/04/2012 01:21 PM
741
GROMACS
Bug
Closed
Normal
tpbconv can not read cpt file
Berk Hess
06/29/2011 06:27 AM
743
GROMACS
Bug
Closed
Normal
Angular momentum removal incorrect
David van der Spoel
03/05/2012 11:27 AM
GROMACS - 4.5.6
847
GROMACS
Bug
Rejected
Normal
tpbconv with index file can produce incorrect tpr files
12/29/2012 12:18 AM
GROMACS - 4.6
901
GROMACS
Bug
Closed
Normal
Dispersion correction incorrect with energy minimization
Berk Hess
04/26/2012 08:27 PM
GROMACS - 4.5.6
972
GROMACS
Bug
Closed
Normal
g_hbond crashes with openmp and -ac
David van der Spoel
11/11/2012 02:01 PM
GROMACS - 4.5.6
1156
GROMACS
Bug
Closed
Normal
mdrun -nt > 1 crashes with old tpr
Michael Shirts
12/16/2013 05:39 PM
GROMACS - 4.6.1
1183
GROMACS
Bug
Closed
Normal
g_mindist -pi bug with triclinic boxes
David van der Spoel
12/16/2013 05:40 PM
GROMACS - 4.5.7
1249
GROMACS
Bug
Closed
Normal
no-PBC no-cutoff is broken with SIMD group kernels in 4.6.1
Erik Lindahl
03/04/2015 10:47 PM
GROMACS - 4.6.x
1272
GROMACS
Bug
Closed
Normal
Energy minimization with domain decomposition crashes
Berk Hess
06/16/2015 11:50 PM
1343
GROMACS
Bug
Closed
Normal
vsiten particles are not integrated
Berk Hess
09/29/2013 03:53 PM
GROMACS - 5.0
1354
GROMACS
Bug
New
Normal
Constant acceleration NEMD is broken.
David van der Spoel
01/09/2019 04:42 PM
1395
GROMACS
Bug
Closed
Normal
rtp errors gromos and opls
David van der Spoel
06/24/2014 08:29 PM
GROMACS - 4.6.6
1469
GROMACS
Bug
Closed
Normal
sizeof call generates compilation error in src/gromacs/simd/impl_x86_sse2/impl_x86_sse2.h
Erik Lindahl
04/03/2014 07:36 PM
GROMACS - 5.0
1473
GROMACS
Bug
Closed
Normal
gmx energy -driftcorr broken.
David van der Spoel
07/11/2016 07:48 PM
1502
GROMACS
Bug
Closed
Normal
trjconv incorrect tng defaults
Magnus Lundborg
06/05/2014 04:48 PM
GROMACS - 5.0
1510
GROMACS
Bug
Closed
Normal
gmx check and gmx dump do not work for tng files
Magnus Lundborg
07/15/2014 06:45 AM
GROMACS - 5.0
1630
GROMACS
Bug
Closed
Normal
grompp allows to specify vdwtype = PME and dispcorr != no
David van der Spoel
10/24/2014 02:32 PM
GROMACS - 5.0.3
1645
GROMACS
Bug
Closed
Normal
Difference in energy with Verlet scheme due to PME dipole correction
David van der Spoel
06/22/2015 06:03 PM
GROMACS - 4.6.8
1791
GROMACS
Bug
Closed
Normal
Spurious interactions that should not be there / Table routines work with 1/r leading to NaN.
David van der Spoel
07/11/2016 08:34 PM
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