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Make both ftp and http links for source download
2016-02-19
Mark Abraham
Ma
k
e
both f
t
p
a
nd
h
t
tp links fo
r
source d
o
wnl
o
ad
commit
|
commitdiff
|
tree
2016-02-19
Be
r
k
H
ess
F
ix excessive list split
t
in
g
commit
|
commitdiff
|
tree
2016-02-18
C
a
rsten Kutzner
Small updat
e
to r
e
ference manual
commit
|
commitdiff
|
tree
2016-02-18
Mar
k
Abraham
U
pdated reference manual text a
b
o
u
t PME tuning
commit
|
commitdiff
|
tree
2016-02-07
Berk Hess
Fix incorr
e
c
t cmap
p
ar
s
ing
commit
|
commitdiff
|
tree
2016-02-03
B
erk
H
es
s
Fix mdr
u
n
r
e
moving
Verlet bu
f
fe
r
w
i
th EM
commit
|
commitdiff
|
tree
2016-02-03
Mark
Abra
h
am
F
ix grompp not warn
i
ng when
.
mdp valu
e
s have w
r
ong
.
.
.
commit
|
commitdiff
|
tree
2016-02-03
Berk Hess
F
ix S
E
TTLE er
r
or handling
commit
|
commitdiff
|
tree
2016-02-03
M
ark A
b
r
a
h
am
Fix dEkin
/
d
l
handling with multiple ranks
commit
|
commitdiff
|
tree
2016-01-29
B
e
r
k H
e
ss
Add check fo
r
double pe
r
turbati
o
n
commit
|
commitdiff
|
tree
2016-01-29
Ber
k
H
e
ss
Fi
x
L
I
NCS
t
ria
n
g
l
e c
o
nstraint thread issu
e
commit
|
commitdiff
|
tree
2016-01-28
Mark Abr
a
ham
Add
O
penCL source file typ
e
s to copyright checker
commit
|
commitdiff
|
tree
2016-01-28
Berk Hess
U
p
date
p
air-list buf
f
er m
a
nu
a
l
commit
|
commitdiff
|
tree
2016-01-27
Mark A
b
raham
Add sugg
e
stions
for u
p
datin
g
bi
n
utils
commit
|
commitdiff
|
tree
2016-01-24
Mar
k
Abraham
Fi
x
dupli
c
ate LaTeX equation label
commit
|
commitdiff
|
tree
2016-01-24
Be
r
k Hess
Fi
x
exact cont
i
nua
t
ion
from n
o
n
-energy steps
commit
|
commitdiff
|
tree
2016-01-24
B
erk Hess
Fix energy file continuation with
m
d
-
v
v
commit
|
commitdiff
|
tree
2016-01-24
Mark Abrah
a
m
Update refe
r
en
c
es to HTML and o
n
lin
e
documentation
commit
|
commitdiff
|
tree
2016-01-24
Teemu
Murtola
Docum
e
n
t limitations on 32-bit
Linux
commit
|
commitdiff
|
tree
2016-01-24
B
e
rk
He
s
s
Fix ener
g
y
a
ver
a
ge wi
t
h cont
i
nuation
commit
|
commitdiff
|
tree
2016-01-13
Mark Abraham
Allo
w
ed NVML support
t
o
be toggled
commit
|
commitdiff
|
tree
2016-01-08
Berk H
e
ss
Fix
P
ME lo
a
d balancing
s
k
i
pping a se
t
up
commit
|
commitdiff
|
tree
2016-01-07
M
a
rk Abrah
a
m
Document how
poten
t
ial-
s
witch works
commit
|
commitdiff
|
tree
2015-12-26
Szila
r
d
P
all
Imp
r
ove
d
ocumentation
on Op
e
n
C
L issue with NV
I
DIA
commit
|
commitdiff
|
tree
2015-12-12
Mark
Abraham
Require N
o
se-Hoover with MTTK
commit
|
commitdiff
|
tree
2015-12-12
Chris
t
oph
Junghans
AdResS:
lost performance
tweak
commit
|
commitdiff
|
tree
2015-12-11
M
a
r
k Abraham
Stop global comm
u
n
ication
d
ependin
g
on integrator
commit
|
commitdiff
|
tree
2015-11-14
Mark Abraham
Fix w
a
llt
i
me m
e
asur
e
ment with bgclang
commit
|
commitdiff
|
tree
2015-11-02
Berk Hess
Fix int
e
rmo
l
e
c
ul
a
r interac
t
i
ons with small mols
commit
|
commitdiff
|
tree
2015-11-02
Sz
i
lard Pal
l
Fix signal type
commit
|
commitdiff
|
tree
2015-10-24
Szilard
Pa
l
l
A
v
o
id using incompati
b
le NVML versi
o
n
commit
|
commitdiff
|
tree
2015-10-22
Szilard Pall
Q
u
i
e
t FindNV
M
L
commit
|
commitdiff
|
tree
2015-10-22
Teemu M
u
r
t
ola
Use include_dire
c
tories(
S
YSTEM
.
.
.
) consis
t
e
n
t
l
y
commit
|
commitdiff
|
tree
2015-10-22
Erik Lindahl
Merge "Merge
release-5
-
0 into relea
s
e-5-1" into rele
a
s
e
-5-1
commit
|
commitdiff
|
tree
2015-10-19
M
a
rk Abra
h
a
m
Fix cyc
l
e
s
ubcounters
commit
|
commitdiff
|
tree
2015-10-18
Justin L
e
mkul
Removed dihed
r
als
f
r
om G
L
Y
.
rtp
entry
.
commit
|
commitdiff
|
tree
2015-10-15
S
z
ilárd Páll
Corr
e
ct CUDA vers
i
on comparisons
commit
|
commitdiff
|
tree
2015-10-12
Michae
l
Shirts
F
ix for lack of COM removal for md-vv
commit
|
commitdiff
|
tree
2015-10-03
Ma
r
k Abraham
Fix FindFFTW behaviour
commit
|
commitdiff
|
tree
2015-10-03
Ma
r
k A
b
raham
Fix mdrun
-
nb aut
o
-rerun w
i
t
h GPU and energy gro
u
ps
commit
|
commitdiff
|
tree
2015-10-02
T
eemu Murtola
F
i
x
-
seltype option for
C++ tools
commit
|
commitdiff
|
tree
2015-10-02
Carste
n
Kutzner
Fi
x
ed a bug in comp
u
t
a
t
ional elec
t
rophysiology with
D
D
commit
|
commitdiff
|
tree
2015-09-06
Mark Abraham
Add G
R
OMACS 5 paper
t
o pap
e
r lis
t
s
commit
|
commitdiff
|
tree
2015-08-13
Mark Abraham
Make it eas
i
er to find selection help
commit
|
commitdiff
|
tree
2015-08-13
Mark Abraham
Document
a
tion fixes
commit
|
commitdiff
|
tree
2015-08-13
S
z
ilard Pall
add clFl
u
s
h
to
k
ick of Op
e
nCL work
commit
|
commitdiff
|
tree
2015-08-13
Mark Abr
a
h
a
m
Avoid FP excepti
o
n with empty
.
mdp file
commit
|
commitdiff
|
tree
2015-08-12
Ma
r
k Abrah
a
m
Add to
a
uthor lists
commit
|
commitdiff
|
tree
2015-08-12
Erik Lindahl
Prevent AMD OpenCL on OS X p
r
ior to
1
0
.
1
0
.
4
commit
|
commitdiff
|
tree
2015-08-11
Erik Lindahl
Fix f
o
r processors
b
e
i
n
g
offline on Arm
commit
|
commitdiff
|
tree
2015-08-10
J
a
mes W
.
Barnett
Fix so
m
e stuff i
n
user and ins
t
a
l
l
guid
e
commit
|
commitdiff
|
tree
2015-08-10
Mark Abraham
Requ
i
re tune_
p
me to take
-mdrun parameter
commit
|
commitdiff
|
tree
2015-08-08
James W
.
Barne
t
t
Fix
some phrases
t
hat were not appearing
i
n manual
commit
|
commitdiff
|
tree
2015-08-06
Ma
r
k Abra
h
a
m
Fix
F
in
d
NVM
L
.
cma
k
e
commit
|
commitdiff
|
tree
2015-08-06
Erik Lindahl
Avoid using C++
1
1
-
specific data() of std::vector
commit
|
commitdiff
|
tree
2015-08-06
M
a
rk Abra
h
am
Fix thread-affinity checking
commit
|
commitdiff
|
tree
2015-08-05
Mar
k
Abraham
Fix em dash in n
e
w refer
e
n
ce
commit
|
commitdiff
|
tree
2015-08-03
Ma
r
k A
b
r
a
ham
F
ix use of
w
rongl
y
-
named GCC
m
inor
-
version variable
commit
|
commitdiff
|
tree
2015-07-26
Mark Abraha
m
Stop mdrun pr
i
nting p
o
tentiall
y
u
n
defined value
commit
|
commitdiff
|
tree
2015-07-19
Mark Abraham
Update advice about gr
o
mpp -t
commit
|
commitdiff
|
tree
2015-07-17
Er
i
k
L
in
d
ahl
Fix incor
r
ect warnin
g
about only using single core
commit
|
commitdiff
|
tree
2015-07-15
C
a
rsten Kutzner
Remove
d
informati
o
n about obsolete
.
e
do file format
commit
|
commitdiff
|
tree
2015-07-14
James
W
.
Ba
r
nett
U
p
date ex
a
mple old mdp file in us
e
r guide
.
commit
|
commitdiff
|
tree
2015-07-08
Mark
Abra
h
am
G
ive bTypeP
e
rturb
e
d a va
l
id
i
nitial va
l
ue
commit
|
commitdiff
|
tree
2015-07-08
Mark Abr
a
h
a
m
Fix gromp
p
.
edr I
O
e
s
t
i
mate for free-ener
g
y calcs
commit
|
commitdiff
|
tree
2015-07-05
Berk Hess
Fix bug
in GPU
l
ist bala
n
cin
g
commit
|
commitdiff
|
tree
2015-07-04
B
e
rk Hess
Obey OpenMP thread
count limit with tMP
I
commit
|
commitdiff
|
tree
2015-07-04
Berk
H
ess
Fix two PME DLB trigger issues
commit
|
commitdiff
|
tree
2015-07-03
Mark Abraham
Fix
Thre
a
d
M
PI G
P
U ass
u
m
ptions
commit
|
commitdiff
|
tree
2015-07-03
Berk Hes
s
Correct
g
rompp pul
l
wa
r
ning message
commit
|
commitdiff
|
tree
2015-07-02
Szilard Pall
Fix
O
penCL
c
o
mpilati
o
n errors
.
commit
|
commitdiff
|
tree
2015-07-02
Teemu Murt
o
la
Rem
o
ve st
a
tus messa
g
es
about
S
phinx
d
etection
commit
|
commitdiff
|
tree
2015-06-30
Mark Ab
r
aham
Document
ho
w
to a
d
d and u
s
e
NVM
L
support
commit
|
commitdiff
|
tree
2015-06-30
Mark Abr
a
ham
A
v
o
i
d GP
U
data race also with OpenCL
commit
|
commitdiff
|
tree
2015-06-30
Berk
Hess
ena
b
led
1 P
P
+ 1
P
ME nod
e
commit
|
commitdiff
|
tree
2015-06-30
Berk H
e
ss
A
d
d
c
he
c
k
s for inef
f
icient
r
esource
usage
commit
|
commitdiff
|
tree
2015-06-30
M
ark Ab
r
aham
A
d
d support for
f
lushing WDDM queue
commit
|
commitdiff
|
tree
2015-06-29
Mark Abraham
Merge "
M
erge branch release-5-0
"
commit
|
commitdiff
|
tree
2015-06-29
E
r
ik Lindahl
Fix
O
S X o
p
enCL builds
commit
|
commitdiff
|
tree
2015-06-29
Erik Lindahl
Fix bugs
i
n gmx dos
commit
|
commitdiff
|
tree
2015-06-29
E
r
i
k
Lind
a
h
l
R
epl
a
c
e
functions depre
c
ated i
n
Open
C
L 1
.
2
commit
|
commitdiff
|
tree
2015-06-29
Teemu Murtol
a
Only accep
t
exac
t
matches
f
or selecti
o
n
k
eywor
d
s
commit
|
commitdiff
|
tree
2015-06-29
anca
Implement OpenCL support
commit
|
commitdiff
|
tree
2015-06-29
Mark Ab
r
a
ham
Add MSAN build type
commit
|
commitdiff
|
tree
2015-06-29
Eri
k
Linda
h
l
Fix
bug removi
n
g multi
p
l
e
dihedrals in main rtp ent
r
ies
commit
|
commitdiff
|
tree
2015-06-29
Te
e
mu Murtola
Make some unit tests skip file s
y
stem acc
e
ss
commit
|
commitdiff
|
tree
2015-06-29
Er
i
k Lindahl
R
e
moved
gmx
protonate tool
commit
|
commitdiff
|
tree
2015-06-29
Berk
Hess
Improve DLB+PME tuni
n
g
w
ith GPUs
commit
|
commitdiff
|
tree
2015-06-28
Erik Lindahl
Fix double precision
reference SIMD and gc
c
b
ug
commit
|
commitdiff
|
tree
2015-06-28
Erik Lindahl
Fix one
e
r
ror
a
nd compiler warnings
with Cuda & clang-
3
.
6
commit
|
commitdiff
|
tree
2015-06-28
P
eter Kas
s
on
Append
_
pu
l
lx_ and _pullf t
o
pull files when
-
deffnm
.
.
.
commit
|
commitdiff
|
tree
2015-06-28
Ro
l
a
n
d Sch
u
l
z
Rem
o
ve unused cmake files
commit
|
commitdiff
|
tree
2015-06-28
R
o
land Schul
z
Don'
t
use check_l
i
brary for libm
commit
|
commitdiff
|
tree
2015-06-27
Berk Hess
Improved the intra-
G
PU load balan
c
i
ng
commit
|
commitdiff
|
tree
2015-06-27
Szi
l
ard Pall
Fix
C
UDA
arc
h
i
t
ec
t
ure d
e
pendent iss
u
es
commit
|
commitdiff
|
tree
2015-06-27
Er
i
k
L
in
d
ahl
Fix IBM VSX
S
IM
D
co
m
pile
s
with xlc
commit
|
commitdiff
|
tree
2015-06-27
Berk
Hes
s
Reduce the use of nbnxn
_
consts
.
h
commit
|
commitdiff
|
tree
2015-06-27
Be
r
k He
s
s
Corrected nstcalclr/nstf
e
p/nst_repl_e
x
checks
commit
|
commitdiff
|
tree
2015-06-27
Erik Lindah
l
Merge "Merge rel
e
a
s
e
-5
-
0 into master"
commit
|
commitdiff
|
tree
2015-06-27
Tee
m
u Murto
l
a
Document t
o
o
l
chan
g
e
s
in 5
.
1
commit
|
commitdiff
|
tree
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