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Check for unused refdata values
2016-08-18
Teemu Murto
l
a
Check for unused
r
efdata values
commit
|
commitdiff
|
tree
2016-08-18
Tee
m
u
M
urtola
Generic structured ke
y
-value
t
ree for optio
n
s
commit
|
commitdiff
|
tree
2016-08-18
T
e
emu M
u
rtola
S
u
pp
o
rt for non-s
t
ring option va
l
ue ass
i
gnment
commit
|
commitdiff
|
tree
2016-08-17
Teemu Murtola
Basic
support f
o
r array-of-structs
in op
t
ions
commit
|
commitdiff
|
tree
2016-08-17
Teemu Murt
o
la
Generalize
a
nd simplify option v
a
lue s
t
or
a
ge
commit
|
commitdiff
|
tree
2016-08-17
T
eemu Murtola
G
e
neralize option sectio
n
i
n
tern
a
ls
commit
|
commitdiff
|
tree
2016-08-17
Teemu Murtola
Reimp
l
ement
subsection
s
in Opt
i
o
n
s
commit
|
commitdiff
|
tree
2016-08-15
M
ark Abraha
m
Me
r
ge branch
r
elease-2016
commit
|
commitdiff
|
tree
2016-08-15
Ma
r
k Abraham
Fixes for BG/Q platform files
a
nd install
g
u
ide
commit
|
commitdiff
|
tree
2016-08-15
Be
r
k Hes
s
Reduce FE
pair-list memory usage
commit
|
commitdiff
|
tree
2016-08-12
Mark Abraham
Bump n
u
mbe
r
to prepare for f
i
rst patch re
l
e
a
se
commit
|
commitdiff
|
tree
2016-08-04
M
a
rk Ab
r
ah
a
m
Version 2016
commit
|
commitdiff
|
tree
2016-08-03
D
a
vid van der
Spoe
l
Three new quotes
.
commit
|
commitdiff
|
tree
2016-08-03
V
edran Mi
l
etić
Use on
l
y leg
a
l chara
c
ters
i
n OpenCL cache filename
commit
|
commitdiff
|
tree
2016-07-29
Mar
k
Abr
a
ham
Imp
r
ove handling of gmock and gcc6
commit
|
commitdiff
|
tree
2016-07-29
M
a
rk Abraha
m
Merge branch re
l
ease-5-1
into rele
a
se-2016
commit
|
commitdiff
|
tree
2016-07-29
David van der
S
p
oel
Fixes inc
o
rrect charges in OPLS/AA-L for HISD and
HISE
commit
|
commitdiff
|
tree
2016-07-28
Mark Abr
a
ham
A
d
d toolchain flags for SSE2 com
p
ilation
commit
|
commitdiff
|
tree
2016-07-21
M
a
rk Ab
r
a
h
am
Bumped patch number
t
o prepare for
future 5
.
1
.
4 r
e
l
e
ase
commit
|
commitdiff
|
tree
2016-07-14
M
a
rk Abraham
F
ix issues with
u
sing in
t
f
o
r number o
f
steps
commit
|
commitdiff
|
tree
2016-07-13
Mark
Abra
h
am
Versi
o
n 5
.
1
.
3
commit
|
commitdiff
|
tree
2016-07-12
M
a
rk Abraham
Me
r
ge branch release-2016
commit
|
commitdiff
|
tree
2016-07-12
Mark Abraham
Fi
x
trr magic
n
umber reading
commit
|
commitdiff
|
tree
2016-07-11
Mark Ab
r
aha
m
F
i
x
gmx
md
r
un -memb
e
d
-ntmpi -1
commit
|
commitdiff
|
tree
2016-07-11
Erik Lindahl
Fix membed with partial revert of 29943f
commit
|
commitdiff
|
tree
2016-07-11
Mi
c
hael
S
hirts
Fix for inc
o
rrectly setting
expanded e
n
semble w
h
en
.
.
.
commit
|
commitdiff
|
tree
2016-07-11
Mark
Abraham
Fix regressiontest downl
o
ad md5su
m
commit
|
commitdiff
|
tree
2016-07-09
Ma
r
k
Abraham
First
20
1
6 re
l
ease cand
i
dat
e
commit
|
commitdiff
|
tree
2016-07-09
Erik
L
indahl
Har
d
ware dete
c
tion cle
a
n
-u
p
and pre/post-p
r
ocessin
g
commit
|
commitdiff
|
tree
2016-07-08
Jochen
Hub
Updat
e
d g_wh
a
m for the new pull
s
etup
commit
|
commitdiff
|
tree
2016-07-08
Ma
r
k Ab
r
ah
a
m
Merge branch
release-5-
1
i
n
to release-201
6
commit
|
commitdiff
|
tree
2016-07-08
D
avid
v
an der Spoel
In
t
roduce fatal err
o
r for
too
f
ew frames in gmx
d
os
.
commit
|
commitdiff
|
tree
2016-07-08
Mark Abraham
Simplify SIMD compiler fl
a
g construction
commit
|
commitdiff
|
tree
2016-07-08
E
rik Lindahl
Add detecti
o
n for
A
RMv
7
cyc
l
e counter support
commit
|
commitdiff
|
tree
2016-07-07
Mark Abr
a
ha
m
Move consistenc
y
check f
o
r numbe
r
of
threads
commit
|
commitdiff
|
tree
2016-07-04
Mar
k
Abra
h
am
F
i
x
e
s for Power7 big-endian
commit
|
commitdiff
|
tree
2016-07-04
Szilárd Páll
D
i
s
able NVIDIA JIT cache w
i
th OpenCL
commit
|
commitdiff
|
tree
2016-06-30
Mar
k
Abraham
Merge branch rel
e
a
s
e-5-1 into
re
l
ease-2016
commit
|
commitdiff
|
tree
2016-06-29
Mark
A
braham
Refac
t
or sysconf checking
commit
|
commitdiff
|
tree
2016-06-29
Mar
k
Abraham
Work aro
u
nd glibc 2
.
23
wi
t
h
CUDA
commit
|
commitdiff
|
tree
2016-06-28
Berk Hess
Proper
l
y
reset
C
UDA applica
t
i
on clocks
commit
|
commitdiff
|
tree
2016-06-28
Ma
r
k Abraham
Upda
t
e to inclu
d
e a gcc 6
.
1 configura
t
ion
commit
|
commitdiff
|
tree
2016-06-28
Mar
k
Abrah
a
m
Fix SIMD conf
i
guration m
a
nagement
commit
|
commitdiff
|
tree
2016-06-27
Mark Abr
a
ham
Remove
d
unnecessary inte
r
-simu
l
ation signalling
commit
|
commitdiff
|
tree
2016-06-27
Berk Hess
Us
e
sys
c
onf(_SC_NPRO
C
ESSORS_
O
NLN)
commit
|
commitdiff
|
tree
2016-06-27
Mark Abraham
M
e
r
ge branc
h
relea
s
e-5
-
1
i
n
t
o release-201
6
commit
|
commitdiff
|
tree
2016-06-24
Berk He
s
s
Fix
V
erlet buf
f
e
r ca
l
c
u
l
ation with
n
s
tlist=1
commit
|
commitdiff
|
tree
2016-06-23
Ma
r
k Abraham
Merg
e
branch release-2016
commit
|
commitdiff
|
tree
2016-06-23
Berk Hess
More accurate GPU l
i
st splitting
commit
|
commitdiff
|
tree
2016-06-23
Mark Ab
r
aham
Allo
w
use of external lmfit p
a
ckage
commit
|
commitdiff
|
tree
2016-06-23
Mark
A
b
r
a
ham
Prevent use of mdr
u
n -maxh -multi
commit
|
commitdiff
|
tree
2016-06-22
Berk
Hess
Updated OpenCLTODOList
.
txt
commit
|
commitdiff
|
tree
2016-06-22
Ma
r
k Abra
h
am
Fi
x
c
o
nfi
g
uration-ti
m
e cpuinfo cod
e
commit
|
commitdiff
|
tree
2016-06-22
David van der Spo
e
l
Removed
s
puriou
s
r_ij in fo
r
ce f
o
r M
o
rse potential
.
.
.
commit
|
commitdiff
|
tree
2016-06-22
Mark Abraham
Merge branch release-5-1 into rel
e
ase-20
1
6
commit
|
commitdiff
|
tree
2016-06-22
Berk Hess
Add nbnx
n
pair-l
i
st rebalanc
i
ng
commit
|
commitdiff
|
tree
2016-06-22
Berk Hess
Rem
o
ve
OpenMP ov
e
rhead a
t
high p
a
ra
l
lelization
commit
|
commitdiff
|
tree
2016-06-22
B
e
rk Hess
Corr
e
ct GPU pair estima
t
e for
l
ist s
p
l
i
t
t
ing
commit
|
commitdiff
|
tree
2016-06-22
M
ark Abrah
a
m
A
djust
a
nd do
c
ument C++11 compile
r
te
s
t
s
commit
|
commitdiff
|
tree
2016-06-20
Mark A
b
r
a
ham
Update pre-sub
m
it
m
at
r
i
x
contents
commit
|
commitdiff
|
tree
2016-06-19
Berk He
s
s
Re
m
ove warnings on
c
heck
p
o
int mi
s
match
commit
|
commitdiff
|
tree
2016-06-19
Mark Abra
h
am
I
mprove docs
for li
n
king stdlibc++
n
e
e
d
e
d by icc
commit
|
commitdiff
|
tree
2016-06-17
Berk
H
es
s
Remove std::thread::hardware_con
c
urrency()
commit
|
commitdiff
|
tree
2016-06-17
Ve
d
ran
Miletić
Report t
h
e filena
m
e
and
the
l
ine number on failure
commit
|
commitdiff
|
tree
2016-06-17
Ma
r
k
A
b
r
a
h
a
m
M
e
rge branc
h
rel
e
ase
-
5-1 into rele
a
s
e
-
2
016
commit
|
commitdiff
|
tree
2016-06-17
M
a
rk Ab
r
aham
Fix mu
l
ti-sim + DD + simple distan
c
e r
e
strain
t
s
commit
|
commitdiff
|
tree
2016-06-13
Berk Hess
H
a
ndle constraint errors
w
ith EM
commit
|
commitdiff
|
tree
2016-06-10
Mark
A
braham
Find
p
y
thon for docs b
u
ild q
u
ietly
commit
|
commitdiff
|
tree
2016-06-08
Erik Lindah
l
D
i
sable
static libcud
a
rt on OS X
commit
|
commitdiff
|
tree
2016-06-07
Mark Abra
h
am
Re-add support fo
r
li
n
king a
g
ainst
external T
i
ny
X
ML-2
commit
|
commitdiff
|
tree
2016-06-07
Mark Ab
r
aham
Updates to documentat
i
on
commit
|
commitdiff
|
tree
2016-06-07
Berk Hess
F
ix
d
a
ta
r
ace
i
n hwinfo with thread-MPI
commit
|
commitdiff
|
tree
2016-06-02
Mark Abraha
m
Fix compa
t
i
bility w
i
th older
C
M
a
ke
commit
|
commitdiff
|
tree
2016-06-02
Ma
r
k Ab
r
aham
Make
m
ore
C
Make variabl
e
s advance
d
commit
|
commitdiff
|
tree
2016-06-02
Mar
k
Abraham
Ignore stderr when d
e
tecting SIMD and bu
i
ld inf
o
commit
|
commitdiff
|
tree
2016-05-31
Ma
r
k Ab
r
aham
Fi
x
refere
n
c
e
to vmdio
.
c to be vmdio
.
cpp
commit
|
commitdiff
|
tree
2016-05-31
M
ark A
b
raham
Seco
n
d 2016 beta rel
e
ase
commit
|
commitdiff
|
tree
2016-05-31
Berk
H
ess
Reposition nbnxn filler particle
s
commit
|
commitdiff
|
tree
2016-05-31
Berk Hess
Avoid num
e
rical
o
v
erflow
with overlapping atoms
commit
|
commitdiff
|
tree
2016-05-31
B
erk Hess
Add
c
heck for fin
i
te
energ
i
es
commit
|
commitdiff
|
tree
2016-05-28
Rola
n
d
S
chulz
Fix
build with clang 3
.
1+
3
.
2
commit
|
commitdiff
|
tree
2016-05-27
Mark Abraham
Fix reading of bonded t
a
bles
commit
|
commitdiff
|
tree
2016-05-26
M
ark Abra
h
am
New
quote
commit
|
commitdiff
|
tree
2016-05-26
Mark Abraha
m
Merge branch re
l
e
a
se
-
2016
commit
|
commitdiff
|
tree
2016-05-25
Tee
m
u Murtola
Support for r
e
al
MPI unit tests
commit
|
commitdiff
|
tree
2016-05-21
Erik Lindahl
Disable automated FFTW3 builds on Windows
commit
|
commitdiff
|
tree
2016-05-17
Rolan
d
Schulz
Add reference to TopoT
o
o
l
s 1
.
6
commit
|
commitdiff
|
tree
2016-05-17
Teemu Murtola
Fix some thr
e
ad affinit
y
c
as
e
s
commit
|
commitdiff
|
tree
2016-05-13
Ro
l
and Sc
h
ul
z
Don't use abort for fa
t
al er
r
ors
commit
|
commitdiff
|
tree
2016-05-12
Mark Abraham
M
erge br
a
n
ch
r
elease
-
5
-
1 i
n
to r
e
lease-2016
commit
|
commitdiff
|
tree
2016-05-12
Mar
k
Abraham
GROMACS 2016 beta1 rele
a
se
commit
|
commitdiff
|
tree
2016-05-12
Vedran
M
i
letić
Remove static f
u
nction qua
l
ifi
e
r in OpenCL kernel u
t
ils
commit
|
commitdiff
|
tree
2016-05-10
Teemu Murt
o
la
Addit
i
on
a
l Jenkin
s
d
o
cument
a
tion
commit
|
commitdiff
|
tree
2016-05-10
M
ark
A
b
raham
B
u
mp clang st
a
tic analyzer t
o
version 3
.
8
commit
|
commitdiff
|
tree
2016-05-10
Mar
k
Abraham
Mino
r
u
p
date to sphinx depen
d
ency
commit
|
commitdiff
|
tree
2016-05-10
Teemu Murtola
Includ
e
releng
doc
u
mentation to de
v
e
loper g
u
id
e
commit
|
commitdiff
|
tree
2016-05-10
Erik Lindahl
Fix prec
i
sion
l
oss in tabulated normal distribution
commit
|
commitdiff
|
tree
2016-05-10
Mar
k
Abraham
Facilitat
e
l
inking with libcxx
commit
|
commitdiff
|
tree
2016-05-10
Erik Lindahl
Flush streams
w
hen not writing
newline chara
c
ter
commit
|
commitdiff
|
tree
2016-05-10
Berk
Hes
s
Optimiz
e
d
t
h
e
vs
i
te threa
d
ing
commit
|
commitdiff
|
tree
next