repo.or.cz
/
gromacs.git
/
search
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
log
|
graphiclog1
|
graphiclog2
|
commit
|
commitdiff
|
tree
|
refs
|
edit
|
fork
first
·
prev
·
next
Merge branch release-5-1 into release-2016
2016-03-31
Jam
e
s W
.
Bar
n
ett
Revert behavior
f
or
handling SETTL
E
errors
commit
|
commitdiff
|
tree
2016-03-31
Szilárd Páll
refactor
CUDA te
x
ture-b
a
s
e
d tab
l
e
initialization
commit
|
commitdiff
|
tree
2016-03-31
Szilar
d
Pall
avoid CPU oversubs
c
ri
p
tio
n
w
i
th G
P
U
s
commit
|
commitdiff
|
tree
2016-03-30
Szil
á
rd Páll
LJ
c
o
mbin
a
t
ion ru
l
e k
e
rnels for OpenCL
commit
|
commitdiff
|
tree
2016-03-30
Szil
á
rd Pál
l
Re-
e
nab
l
e i-at
o
m type local mem pre
f
etch
i
n
O
penCL
commit
|
commitdiff
|
tree
2016-03-30
Berk H
e
s
s
C
orrect mdrun tMPI (non-)parallel error message
commit
|
commitdiff
|
tree
2016-03-30
Teemu Murtola
Make includesort
e
r
.
p
y
work with Doxy
g
en
1
.
8
.
10
+
commit
|
commitdiff
|
tree
2016-03-30
S
zilárd Páll
D
escribe AMD APPSD
K
3
.
0 issues in the guide
commit
|
commitdiff
|
tree
2016-03-30
Teemu Murtola
F
i
x
error repor
t
ing for documentation bu
i
ld
commit
|
commitdiff
|
tree
2016-03-30
M
ark Abraha
m
C
l
ean up v
s
ite code
commit
|
commitdiff
|
tree
2016-03-22
C
a
rsten
Kutzner
Cl
e
an-up code
for swapcoords
.
commit
|
commitdiff
|
tree
2016-03-22
Berk He
s
s
L
J
combina
t
i
on rule kernels for CUD
A
commit
|
commitdiff
|
tree
2016-03-19
Mark Abraham
Add more const correc
t
ness
commit
|
commitdiff
|
tree
2016-03-19
Mark Abraham
Impr
o
ved
some md
r
un
i
ntegration tests
commit
|
commitdiff
|
tree
2016-03-18
Mar
k
A
br
a
h
am
Warn abo
u
t
OpenMPI 1
.
8
.
6
commit
|
commitdiff
|
tree
2016-03-18
Berk Hess
Fix non-normalization o
f
FFT autocorr
commit
|
commitdiff
|
tree
2016-03-18
Mark Abra
h
a
m
Fix typo
i
n Fourier dihedr
a
l equa
t
i
o
n
commit
|
commitdiff
|
tree
2016-03-18
V
i
v
eca
Lindahl
Added pull coordinate geom
e
t
ry a
n
gle
.
commit
|
commitdiff
|
tree
2016-03-18
David van
d
er Spoel
Fixed divisio
n
by zero i
n
polar
i
ze
.
commit
|
commitdiff
|
tree
2016-03-18
Ni
c
holas Breen
Variou
s
minor
s
pell
i
ng fixes - messages and
code comments
.
.
.
commit
|
commitdiff
|
tree
2016-03-17
Carsten Kutzner
Fix memb
e
d
init
i
ali
z
a
t
i
on
commit
|
commitdiff
|
tree
2016-03-15
Mark
Abraham
Merge
br
a
n
ch release-5-0 into
r
elea
s
e-5-1
commit
|
commitdiff
|
tree
2016-03-11
Ma
r
k
A
braham
Merge
branch release-5-0 into release-5-1
commit
|
commitdiff
|
tree
2016-03-10
Mark Abraham
Re
q
uire 2
0
15 vers
i
on
f
or MSVC
commit
|
commitdiff
|
tree
2016-02-27
Be
r
k Hess
Remove epsfac from GPU k
e
rnel inner-l
o
ops
commit
|
commitdiff
|
tree
2016-02-23
Mark Abraham
Replace cppcheck
s
uppres
s
i
on
i
n ch
e
ckpoint co
d
e
commit
|
commitdiff
|
tree
2016-02-16
Mark
A
braham
Me
r
g
e
branch
release-5-0 into release-
5
-1
commit
|
commitdiff
|
tree
2016-02-14
M
ark Abrah
a
m
Re-g
e
nerate
d
e
p
s f
o
r figure
4
.
8
commit
|
commitdiff
|
tree
2016-02-10
Mark Ab
r
aham
Re-remove *_
s
to
c
hd
_
state fu
n
cti
o
n decl
a
rations
commit
|
commitdiff
|
tree
2016-02-10
Erik Lindahl
Scalar function
s
m
imi
c
kin
g
the SIMD interfa
c
e
commit
|
commitdiff
|
tree
2016-02-08
Mark
A
braham
Merge branch
r
el
e
ase-
5
-0 in
t
o relea
s
e
-5
-
1
commit
|
commitdiff
|
tree
2016-02-06
Mar
k
Abraham
Merge branch release-5-1
commit
|
commitdiff
|
tree
2016-02-03
Ma
r
k
Ab
r
aham
Bumped patch numb
e
r to prepare for future
5
.
1
.
3 rel
e
as
e
commit
|
commitdiff
|
tree
2016-02-03
Mar
k
A
braham
V
e
rsi
o
n 5
.
1
.
2
commit
|
commitdiff
|
tree
2016-02-03
Mark Abraham
Merge release-5-0
into release-5-1
commit
|
commitdiff
|
tree
2016-01-28
M
ark Abraham
M
erge branc
h
release-5-1
commit
|
commitdiff
|
tree
2016-01-28
Mark Abraham
A
vo
i
d FP exception
commit
|
commitdiff
|
tree
2016-01-27
Mark Abraham
Merge branch release-5-1
commit
|
commitdiff
|
tree
2016-01-27
Mark A
b
raham
Remove bNotLastFrame
commit
|
commitdiff
|
tree
2016-01-26
Mark A
b
ra
h
am
Fi
x
default f
o
r
G
MX
_
USE_NVML
commit
|
commitdiff
|
tree
2016-01-25
Ma
r
k Abraham
Merge branch re
l
ease-5-1
commit
|
commitdiff
|
tree
2016-01-12
Mark
A
braham
Merge
b
ranch relea
s
e-5-0 int
o
rel
e
ase-5-1
commit
|
commitdiff
|
tree
2016-01-08
M
ar
k
Abraham
Merge b
r
anch re
l
ease-5-1
commit
|
commitdiff
|
tree
2016-01-07
M
ark Abraham
Fix
some mdrun h
e
ad
e
r dependencies
commit
|
commitdiff
|
tree
2016-01-07
Mark
A
braham
Avoid
m
ore C++ bindings for M
P
I
commit
|
commitdiff
|
tree
2016-01-07
Mark Ab
r
aham
Stop using UNDEFINED as name
of a symbol
commit
|
commitdiff
|
tree
2016-01-07
M
a
r
k Ab
r
aham
Remove fi
e
l
d
s used onl
y
for SD
2
commit
|
commitdiff
|
tree
2016-01-07
M
ar
k
Abrah
a
m
Backport md-vv fixes
commit
|
commitdiff
|
tree
2016-01-06
M
ark Abr
a
ham
Fix spurious gcc war
n
ing
commit
|
commitdiff
|
tree
2015-12-29
B
e
rk Hes
s
Correct vec
t
o
r
c
heck of gmx
chec
k
commit
|
commitdiff
|
tree
2015-12-29
Teemu Murtola
Pa
c
ka
g
i
n
g build script for
web sit
e
commit
|
commitdiff
|
tree
2015-12-28
Mark Abraham
Merge bra
n
ch release-5-1
commit
|
commitdiff
|
tree
2015-12-27
Mark Abraham
Fix some OpenCL iss
u
es
commit
|
commitdiff
|
tree
2015-12-27
Berk Hess
Reorganized domdec ini
t
i
aliz
a
tion
commit
|
commitdiff
|
tree
2015-12-24
Mark A
b
raham
Shell code
c
leanup
commit
|
commitdiff
|
tree
2015-12-24
E
rik
L
indahl
IBM
P
ower6 VMX exten
d
ed SIMD
commit
|
commitdiff
|
tree
2015-12-17
Mark Abr
a
ham
Simplif
i
e
d energy-summa
t
ion co
d
e
commit
|
commitdiff
|
tree
2015-12-16
B
erk Hess
Ad
d
o
ne element to state r
v
ec a
r
rays
commit
|
commitdiff
|
tree
2015-12-15
Erik Lindahl
C
+
+ math function clea
n
up
commit
|
commitdiff
|
tree
2015-12-15
Teemu Murtola
Move main
.
*, splitter
.
*, gmx_omp_
n
th
r
eads
.
* to mdli
b
commit
|
commitdiff
|
tree
2015-12-15
Te
e
mu Murtola
Mov
e
re
a
dinp
.
* and warninp
.
* to fi
l
eio/
commit
|
commitdiff
|
tree
2015-12-15
Teemu Murtola
Move hardware dete
c
tion
t
o
h
ardwar
e
/
commit
|
commitdiff
|
tree
2015-12-15
Teemu Murtola
Move some mdrun code
o
ut of gmxlib
/
commit
|
commitdiff
|
tree
2015-12-12
Teemu Murtola
Move disre
.
*
a
n
d orires
.
* t
o
listed-
f
orces/
commit
|
commitdiff
|
tree
2015-12-12
T
e
emu Murtola
Move pu
t
_atoms_in_box_o
m
p() to sim_util
.
*
commit
|
commitdiff
|
tree
2015-12-12
Te
e
mu Mu
r
tola
R
e
move
t
opology -> fileio
d
epende
n
c
y
commit
|
commitdiff
|
tree
2015-12-10
Mark
A
b
r
aham
Merge br
a
nch
'
origin/r
e
lease-5
-
1'
commit
|
commitdiff
|
tree
2015-12-08
Mark Abraham
Merge b
r
an
c
h 'rel
e
a
s
e-5-0'
into release-5
-
1
commit
|
commitdiff
|
tree
2015-12-08
M
ark Ab
r
a
h
a
m
Fi
x
Trotte
r
integ
r
a
tion
commit
|
commitdiff
|
tree
2015-12-03
Mark Abraham
R
e
m
ove mdrun -c
o
m
p
act
commit
|
commitdiff
|
tree
2015-12-03
Tee
m
u
Mu
r
to
l
a
Move strdb
.
*
t
o utility/
commit
|
commitdiff
|
tree
2015-12-02
B
erk Hess
Made t
_
inputrec const in PME
load balancing
commit
|
commitdiff
|
tree
2015-12-02
M
a
rk Abr
a
ham
Remove tw
i
n-rang
e
scheme
commit
|
commitdiff
|
tree
2015-11-30
M
a
rk Abraha
m
Refa
c
t
or
hardware informati
o
n manag
e
ment
commit
|
commitdiff
|
tree
2015-11-25
El
t
on Carvalho
R
ot
a
te Figure 8
.
2 in
m
anual
.
commit
|
commitdiff
|
tree
2015-11-24
Mar
k
Ab
r
a
ham
Fix error i
n
multi-sim communi
c
a
t
ion
commit
|
commitdiff
|
tree
2015-11-23
Mark Abra
h
a
m
Upda
t
e a
n
d
expand pre-
s
ubmit commit m
a
t
r
i
x
commit
|
commitdiff
|
tree
2015-11-16
M
ark
A
b
r
a
h
am
Remove t_adress
commit
|
commitdiff
|
tree
2015-11-16
Mar
k
Abraha
m
Removed state_global fro
m
mdru
n
e
n
ergy-summa
t
ion
commit
|
commitdiff
|
tree
2015-11-16
Mark
A
braham
M
e
rg
e
br
a
n
c
h release-5
-
1
commit
|
commitdiff
|
tree
2015-11-15
Mark Abraham
Remove AdResS
commit
|
commitdiff
|
tree
2015-11-11
Mar
k
Ab
r
aham
Merge
r
e
l
ease-5-
0
into
release
-
5
-
1
commit
|
commitdiff
|
tree
2015-11-10
Mark Abraham
B
u
mp patc
h
version to prepa
r
e for
5
.
1
.
2
commit
|
commitdiff
|
tree
2015-11-04
Mark Abra
h
am
Merge branch release-5-1
commit
|
commitdiff
|
tree
2015-11-04
Mark Abraham
Even less mov
i
n
g
from
u
nique
_
p
tr
commit
|
commitdiff
|
tree
2015-11-04
Mark
A
br
a
ham
Vers
i
on 5
.
1
.
1
commit
|
commitdiff
|
tree
2015-10-28
Mark Ab
r
ah
a
m
Supp
r
ess w
a
rnings w
h
e
n
we have OpenCL 2
.
0 supp
o
rt
commit
|
commitdiff
|
tree
2015-10-15
Szilárd Páll
Add C
U
DA nvcc >=7
.
0 sup
p
o
r
t
commit
|
commitdiff
|
tree
2015-10-14
Mark Abraham
M
erge
r
elease-5-0 i
n
to rel
e
ase-5-1
commit
|
commitdiff
|
tree
2015-10-14
Mark Abraham
V
ersio
n
bumps aft
e
r release
commit
|
commitdiff
|
tree
2015-10-14
M
ark Abraham
Simpli
f
y genconf
commit
|
commitdiff
|
tree
2015-10-14
Mark A
b
r
aham
Version 5
.
0
.
7
commit
|
commitdiff
|
tree
2015-10-13
Mark Abraha
m
M
erge
b
ranch
release-4-6 into release-5-0
commit
|
commitdiff
|
tree
2015-10-13
E
r
ik Lindahl
Repl
a
ce GROMACS-specific math
f
un
c
tions wi
t
h C+
+
1
1
.
.
.
commit
|
commitdiff
|
tree
2015-10-07
Mark Abraham
Merge branch
release-5-1 into mast
e
r
commit
|
commitdiff
|
tree
2015-10-07
Mark Abraham
F
i
xed FFTW
d
etecti
o
n s
t
atus message
l
ocation
commit
|
commitdiff
|
tree
2015-10-05
Mark Abr
a
h
a
m
Merge rel
e
ase-5-0 in
t
o r
e
l
ease-5-1
commit
|
commitdiff
|
tree
2015-10-02
Mark Abraham
Temporaril
y
test on a mac
h
ine
with only two GPUs
commit
|
commitdiff
|
tree
2015-09-28
Mark Abraha
m
E
liminate use of typed
e
fs
.
h
in kern
e
l
C
c
o
d
e
commit
|
commitdiff
|
tree
2015-09-26
Mark Abra
h
am
Fi
x
r
e
actio
n
-field warning message
commit
|
commitdiff
|
tree
next