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Make both ftp and http links for source download
2016-02-19
Mark Ab
r
aham
Make both ftp and h
t
tp
links fo
r
s
o
urce download
commit
|
commitdiff
|
tree
2016-02-19
Berk Hess
F
i
x excessive list splitting
commit
|
commitdiff
|
tree
2016-02-18
Car
s
ten Kut
z
ner
Small u
p
date to reference manua
l
commit
|
commitdiff
|
tree
2016-02-18
Mark Abra
h
am
Updated
r
efer
e
nce manual text about PME tunin
g
commit
|
commitdiff
|
tree
2016-02-07
Berk Hess
F
i
x
i
n
correct cmap
p
ar
s
ing
commit
|
commitdiff
|
tree
2016-02-03
Be
r
k Hess
Fix mdrun removing Verlet buffer wi
t
h
EM
commit
|
commitdiff
|
tree
2016-02-03
Mark
A
braham
F
i
x
g
rompp not warni
n
g when
.
mdp values have wrong
.
.
.
commit
|
commitdiff
|
tree
2016-02-03
B
e
rk Hess
Fix
S
ETTLE error handli
n
g
commit
|
commitdiff
|
tree
2016-02-03
Mark
A
bra
h
am
Fi
x
d
Ekin/dl handling with
multiple ranks
commit
|
commitdiff
|
tree
2016-01-29
Berk Hes
s
A
d
d check for double perturbatio
n
commit
|
commitdiff
|
tree
2016-01-29
Berk Hess
Fix LINCS triangl
e
constrai
n
t t
h
read issue
commit
|
commitdiff
|
tree
2016-01-28
Mark Abrah
a
m
Add O
p
enCL s
o
urc
e
fil
e
types to cop
y
rig
h
t chec
k
er
commit
|
commitdiff
|
tree
2016-01-28
Berk H
e
s
s
U
pdat
e
pair-list buffer manual
commit
|
commitdiff
|
tree
2016-01-27
Mark Abrah
a
m
Add sug
g
estions fo
r
updating
b
inut
i
ls
commit
|
commitdiff
|
tree
2016-01-24
Ma
r
k Abra
h
a
m
Fix duplicate
L
aTeX equa
t
ion lab
e
l
commit
|
commitdiff
|
tree
2016-01-24
Berk Hess
Fi
x
exact c
o
ntinuat
i
on from no
n
-energy steps
commit
|
commitdiff
|
tree
2016-01-24
Berk
Hess
Fix e
n
erg
y
file continua
t
ion with md-
v
v
commit
|
commitdiff
|
tree
2016-01-24
Mark Abraham
Update refe
r
ences to HTML and on
l
ine d
o
cumentatio
n
commit
|
commitdiff
|
tree
2016-01-24
T
e
emu Mu
r
tola
Docu
m
e
n
t limitations on 32-bit Li
n
ux
commit
|
commitdiff
|
tree
2016-01-24
Berk He
s
s
Fix energy average with continuation
commit
|
commitdiff
|
tree
2016-01-13
Ma
r
k Abraham
Allo
w
ed NVML support to b
e
toggled
commit
|
commitdiff
|
tree
2016-01-08
Berk Hess
Fix PM
E
load bala
n
cing skipping a setup
commit
|
commitdiff
|
tree
2016-01-07
Mar
k
Abraham
Document how potential-s
w
itch wor
k
s
commit
|
commitdiff
|
tree
2015-12-26
Szilard Pall
Improve
document
a
tion on
O
p
e
nCL issu
e
with
NV
I
DIA
commit
|
commitdiff
|
tree
2015-12-12
M
a
rk A
b
raham
R
equire Nose-Hoover with MTTK
commit
|
commitdiff
|
tree
2015-12-12
Christoph
J
unghans
AdResS: lost
p
erforman
c
e
tweak
commit
|
commitdiff
|
tree
2015-12-11
Mark Abr
a
ham
Stop global comm
u
nication
d
e
p
ending on integ
r
ator
commit
|
commitdiff
|
tree
2015-11-14
M
a
rk
Abraham
Fi
x
wallti
m
e measurement with bgclang
commit
|
commitdiff
|
tree
2015-11-02
B
e
rk Hess
Fi
x
intermo
l
ecul
a
r interactions w
i
th
sm
a
ll mol
s
commit
|
commitdiff
|
tree
2015-11-02
Szilar
d
Pal
l
Fix s
i
g
na
l
type
commit
|
commitdiff
|
tree
2015-10-24
S
zilard Pall
Av
o
id using
incompatible
N
V
M
L
v
e
r
s
i
on
commit
|
commitdiff
|
tree
2015-10-22
Szila
r
d
P
all
Quiet Fi
n
dNVML
commit
|
commitdiff
|
tree
2015-10-22
Te
e
mu Murtola
Use i
n
clude_directories(S
Y
STEM
.
.
.
) cons
i
s
t
ently
commit
|
commitdiff
|
tree
2015-10-22
Er
i
k Lind
a
hl
Merge "Merg
e
r
e
lease-5-0
into
r
e
l
ease-5-1" into
r
e
l
e
ase-5-1
commit
|
commitdiff
|
tree
2015-10-19
Mar
k
Abraham
Fix
c
y
cle
su
b
counters
commit
|
commitdiff
|
tree
2015-10-18
Justin Le
m
kul
Re
m
oved dihedrals from G
L
Y
.
r
tp entry
.
commit
|
commitdiff
|
tree
2015-10-15
Szilárd
Pál
l
Correct CUDA version comparisons
commit
|
commitdiff
|
tree
2015-10-12
Michael Shirts
Fix fo
r
l
ack of COM r
e
m
o
v
al for md-vv
commit
|
commitdiff
|
tree
2015-10-03
Mark Abraham
Fix Find
F
FT
W
behaviour
commit
|
commitdiff
|
tree
2015-10-03
M
a
rk
A
braham
Fix mdrun -nb au
t
o -rerun with
GPU and energy groups
commit
|
commitdiff
|
tree
2015-10-02
Teemu Murtola
Fix -sel
t
ype
opti
o
n for C+
+
tools
commit
|
commitdiff
|
tree
2015-10-02
Carsten Kutzn
e
r
F
i
xed
a
bug in c
o
m
p
utati
o
nal electr
o
physiology with DD
commit
|
commitdiff
|
tree
2015-09-06
Mark
Abraham
Add GROMACS 5
p
a
per to
p
aper lists
commit
|
commitdiff
|
tree
2015-08-13
Mar
k
Abra
h
am
Make it easier to find selection help
commit
|
commitdiff
|
tree
2015-08-13
Mark Abraham
Documentatio
n
fixe
s
commit
|
commitdiff
|
tree
2015-08-13
Szilard Pall
a
d
d clF
l
ush to
k
i
c
k of OpenCL
work
commit
|
commitdiff
|
tree
2015-08-13
Mar
k
A
b
r
a
ha
m
Av
o
id FP exception with empty
.
md
p
file
commit
|
commitdiff
|
tree
2015-08-12
Mar
k
Abraham
Add
t
o
author lists
commit
|
commitdiff
|
tree
2015-08-12
Er
i
k Lindah
l
P
re
v
ent AMD OpenCL on
O
S X
p
r
i
o
r to 10
.
1
0
.
4
commit
|
commitdiff
|
tree
2015-08-11
Erik Linda
h
l
F
ix for processors be
i
ng offline on
A
r
m
commit
|
commitdiff
|
tree
2015-08-10
James W
.
Barnett
Fix s
o
m
e
s
tuff in user and install gui
d
e
commit
|
commitdiff
|
tree
2015-08-10
Mark Abra
h
am
R
e
q
uire
t
u
n
e
_
p
me to
t
ak
e
-
m
dr
u
n pa
r
am
e
ter
commit
|
commitdiff
|
tree
2015-08-08
Jam
e
s
W
.
Barnett
F
ix
some phrase
s
t
hat
were no
t
a
p
pearin
g
in manual
commit
|
commitdiff
|
tree
2015-08-06
Mark
A
brah
a
m
Fix Fi
n
dNV
M
L
.
cmake
commit
|
commitdiff
|
tree
2015-08-06
Erik Lind
a
hl
Avo
i
d usi
n
g
C++11-speci
f
ic data()
of s
t
d
::v
e
cto
r
commit
|
commitdiff
|
tree
2015-08-06
M
a
rk
Abraham
Fix threa
d
-affinity
c
hecking
commit
|
commitdiff
|
tree
2015-08-05
Mark Abraham
Fix em das
h
in new ref
e
rence
commit
|
commitdiff
|
tree
2015-08-03
Mark Abraham
Fix use of wr
o
ngl
y
-n
a
m
ed G
C
C minor-version variabl
e
commit
|
commitdiff
|
tree
2015-07-26
Mark Abraha
m
Stop m
d
run printi
n
g p
o
ten
t
ia
l
ly undefined value
commit
|
commitdiff
|
tree
2015-07-19
Mark
A
braham
Update advice
about grompp -t
commit
|
commitdiff
|
tree
2015-07-17
E
rik Lindahl
Fix incorrect warnin
g
about on
l
y using single cor
e
commit
|
commitdiff
|
tree
2015-07-15
Cars
t
en Kut
z
n
e
r
R
emove
d
infor
m
a
ti
o
n
about o
b
s
o
lete
.
edo file form
a
t
commit
|
commitdiff
|
tree
2015-07-14
James W
.
Barnett
Update
e
xample ol
d
m
dp
file in user
gui
d
e
.
commit
|
commitdiff
|
tree
2015-07-08
Ma
r
k Abraham
G
i
ve bTypePerturbed a valid initial val
u
e
commit
|
commitdiff
|
tree
2015-07-08
Ma
r
k Abraham
Fix grompp
.
edr IO estimate for fre
e
-energy calcs
commit
|
commitdiff
|
tree
2015-07-05
Berk Hes
s
F
ix bug in
G
PU list bal
a
ncing
commit
|
commitdiff
|
tree
2015-07-04
B
erk Hess
Obe
y
OpenMP th
r
ead coun
t
limit with tMP
I
commit
|
commitdiff
|
tree
2015-07-04
Berk
Hes
s
Fix two P
M
E DLB trigg
e
r iss
u
es
commit
|
commitdiff
|
tree
2015-07-03
Mark
Abra
h
am
F
i
x T
h
readMPI GPU
assu
m
p
t
ions
commit
|
commitdiff
|
tree
2015-07-03
B
e
r
k Hess
Correct grompp pull warning message
commit
|
commitdiff
|
tree
2015-07-02
Szilard
P
a
ll
Fix O
p
enCL compilation errors
.
commit
|
commitdiff
|
tree
2015-07-02
T
e
emu Murtol
a
R
emove status messages abou
t
Sphin
x
detection
commit
|
commitdiff
|
tree
2015-06-30
Mark Abraham
D
ocum
e
nt
h
ow to add and use
NVML support
commit
|
commitdiff
|
tree
2015-06-30
Mark Abraham
Avoid GPU data race also with OpenCL
commit
|
commitdiff
|
tree
2015-06-30
Berk
H
ess
e
nabled 1
PP
+
1 PME no
d
e
commit
|
commitdiff
|
tree
2015-06-30
Berk Hess
Add check
s
for
i
n
efficie
n
t r
e
so
u
r
c
e usage
commit
|
commitdiff
|
tree
2015-06-30
Mar
k
A
braham
Add support
f
o
r flushing WDDM queue
commit
|
commitdiff
|
tree
2015-06-29
Mark A
b
rah
a
m
Merge "Me
r
g
e branch
re
l
ease-5-
0
"
commit
|
commitdiff
|
tree
2015-06-29
Erik Lindahl
Fix OS
X o
p
e
n
CL builds
commit
|
commitdiff
|
tree
2015-06-29
Erik Lindahl
Fix bugs
in gmx dos
commit
|
commitdiff
|
tree
2015-06-29
Erik Lin
d
a
hl
Repla
c
e
f
unctions
deprecated in OpenCL 1
.
2
commit
|
commitdiff
|
tree
2015-06-29
Tee
m
u Murtola
Only accept ex
a
ct matches for selection k
e
yword
s
commit
|
commitdiff
|
tree
2015-06-29
anca
Implement OpenCL
supp
o
rt
commit
|
commitdiff
|
tree
2015-06-29
M
a
r
k
Abraham
A
dd
M
SAN build
t
y
pe
commit
|
commitdiff
|
tree
2015-06-29
Erik Lin
d
ahl
Fix b
u
g r
e
m
ovin
g
multiple dihedrals i
n
main rtp entries
commit
|
commitdiff
|
tree
2015-06-29
Teemu Murt
o
la
M
a
ke some uni
t
tests skip
file system acces
s
commit
|
commitdiff
|
tree
2015-06-29
Erik Linda
h
l
Remo
v
ed gmx proto
n
ate to
o
l
commit
|
commitdiff
|
tree
2015-06-29
Be
r
k H
e
ss
I
mprove
DLB+PME tu
n
in
g
with GPU
s
commit
|
commitdiff
|
tree
2015-06-28
Erik Lindah
l
Fix
double prec
i
sion reference SIMD
a
nd gcc b
u
g
commit
|
commitdiff
|
tree
2015-06-28
Er
i
k Li
n
d
a
hl
Fix one error and
co
m
piler
warnings
with Cud
a
& clang-3
.
6
commit
|
commitdiff
|
tree
2015-06-28
Peter Ka
s
son
Append
_pullx_ an
d
_pu
l
lf to pull
files when -deffnm
.
.
.
commit
|
commitdiff
|
tree
2015-06-28
Roland Schulz
Remove
unused cmake files
commit
|
commitdiff
|
tree
2015-06-28
Roland
Sch
u
lz
Don't
use check_
l
ibrary for libm
commit
|
commitdiff
|
tree
2015-06-27
B
erk
H
e
s
s
Impro
v
ed the intra-GPU load balancin
g
commit
|
commitdiff
|
tree
2015-06-27
Szilard Pall
Fix CUDA arc
h
i
tecture
depen
d
ent
i
ssues
commit
|
commitdiff
|
tree
2015-06-27
Erik L
i
n
dahl
Fix IBM
VSX SIMD comp
i
les w
i
t
h
xlc
commit
|
commitdiff
|
tree
2015-06-27
Ber
k
Hess
Reduce the
u
se of
n
b
n
xn_consts
.
h
commit
|
commitdiff
|
tree
2015-06-27
Berk
H
ess
Corrected nstca
l
c
l
r/nstfep/nst_repl_ex che
c
ks
commit
|
commitdiff
|
tree
2015-06-27
Erik Lindahl
M
er
g
e "Merge re
l
e
a
se-5-0 into master"
commit
|
commitdiff
|
tree
2015-06-27
T
e
e
m
u Murtol
a
Documen
t
tool ch
a
n
g
es i
n
5
.
1
commit
|
commitdiff
|
tree
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