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Remove unnecessary GPU checking code
2017-07-19
Tee
m
u Murtola
Prune unnecessary cells i
n
analysis nbsearc
h
commit
|
commitdiff
|
tree
2017-07-17
Teemu
M
urtol
a
F
i
x hwlo
c
detection
commit
|
commitdiff
|
tree
2017-07-11
T
e
e
mu
M
urtola
S
uppor
t
scoped key-value tree t
r
ansform rules
commit
|
commitdiff
|
tree
2017-07-06
Tee
m
u
M
ur
t
ola
Detect unknown
m
dp
options in gmx dump/check
commit
|
commitdiff
|
tree
2017-06-30
T
eemu Mur
t
ola
Fix bo
o
l
e
a
n
serializatio
n
commit
|
commitdiff
|
tree
2017-06-30
Teemu Murtola
Extend ke
y
-
v
a
lue tree com
p
aris
o
n and tests
commit
|
commitdiff
|
tree
2017-06-29
Tee
m
u Mu
r
tola
Generalize IForceProvider
commit
|
commitdiff
|
tree
2017-06-28
Teem
u
Murt
o
l
a
Exte
n
d key-value
t
ree serialization and tes
t
s
commit
|
commitdiff
|
tree
2017-06-27
Teemu Murt
o
l
a
Do not use conf-man
.
py for
no
n
-
manpage doc
build
s
commit
|
commitdiff
|
tree
2017-05-29
Teemu Murtola
Avo
i
d
s
ome incorrect behavior
with
gmx solvate
commit
|
commitdiff
|
tree
2017-05-29
Teemu
M
u
r
t
o
l
a
Remove pbcutil <
-
> mdtypes cyclic
d
e
pe
n
dency
commit
|
commitdiff
|
tree
2017-05-11
Te
e
mu M
u
r
t
ola
Gen
e
ralize command-li
n
e
t
est
output file
checking
commit
|
commitdiff
|
tree
2017-04-17
Teemu Murtola
Consistent appr
o
ac
h
for whole-progra
m
tests
commit
|
commitdiff
|
tree
2017-04-11
Te
e
m
u
Murtola
Improve key-value tre
e
gmx dump su
p
port
commit
|
commitdiff
|
tree
2017-04-06
Teemu Murtola
Fix memory access issues in gmx so
l
vate
commit
|
commitdiff
|
tree
2017-04-06
Teemu Murtola
C
onsistent
n
aming
f
or gmxana
tests
commit
|
commitdiff
|
tree
2017-04-04
T
eemu Murtola
Utility functio
n
s
for formatti
n
g string values
commit
|
commitdiff
|
tree
2017-03-13
T
e
e
mu Murt
o
l
a
I
mprove option
s
upport & tests for ke
y
-v
a
lue trees
commit
|
commitdiff
|
tree
2017-03-13
T
eemu Mu
r
tola
R
e
move
m
anual
ali
g
n
ment fr
o
m
InMemorySerializer
commit
|
commitdiff
|
tree
2017-03-12
Tee
m
u Murtola
Consisten
t
TextWriter trailing whit
e
space
h
a
ndlin
g
commit
|
commitdiff
|
tree
2017-03-11
T
e
emu Murtola
Update
c
opyright y
e
a
r
for
g
mx -versi
o
n
commit
|
commitdiff
|
tree
2017-03-04
Teemu Mur
t
ola
Remove MDMo
d
ules use
f
rom mdl
i
b
commit
|
commitdiff
|
tree
2017-03-04
T
e
e
mu Murtola
Split md
module facets
to different
interfac
e
s
commit
|
commitdiff
|
tree
2017-02-28
Tee
m
u
Murtola
More docume
n
ta
t
ion for
k
ey-val
u
e trees
commit
|
commitdiff
|
tree
2017-02-27
Teemu Murtola
Decoupl
e
t
_
i
n
putre
c
from M
D
Modules
commit
|
commitdiff
|
tree
2017-02-27
Teemu Mu
r
tol
a
Rem
o
ve mo
d
ule refer
e
nces from
t_inputrec
commit
|
commitdiff
|
tree
2017-02-10
Tee
m
u Murtola
Ch
e
ck log outp
u
t in
t
h
read
a
ffini
t
y t
e
sts
commit
|
commitdiff
|
tree
2017-02-09
Teemu Murtola
Multi-rank thread affinity
t
ests
commit
|
commitdiff
|
tree
2017-02-09
Teemu Murtola
Document key-valu
e
tree
t
ra
n
sforms an
d
improve che
c
ks
commit
|
commitdiff
|
tree
2017-02-09
Teemu M
u
r
tola
Overview documenta
t
ion for new m
d
p input s
c
heme
commit
|
commitdiff
|
tree
2017-02-08
Teemu
Murtola
Generic
K
e
y
V
a
lueTree
broad
c
as
t
commit
|
commitdiff
|
tree
2017-02-08
Tee
m
u Murtola
G
eneric gmx che
c
k imp
l
ementation wi
t
h
KeyVal
u
eTree
commit
|
commitdiff
|
tree
2017-02-08
Teemu Murtola
Generic gmx dum
p
i
m
plementation
for KeyValueTree
commit
|
commitdiff
|
tree
2017-02-08
Teemu
Murtola
Generic tpr handling for elect
r
i
c field
commit
|
commitdiff
|
tree
2016-12-12
Teemu Murtola
M
erge bra
n
ch release-2016
commit
|
commitdiff
|
tree
2016-12-10
T
e
e
m
u Murto
l
a
Minor CMake cleanup &
m
odernization
commit
|
commitdiff
|
tree
2016-12-10
Teem
u
Murtola
Bui
l
d scripts fo
r
im
p
roved release wor
k
f
l
o
w
commit
|
commitdiff
|
tree
2016-12-08
T
eemu Murt
o
la
Fix and
c
lean
u
p
h
andling of some linking
commit
|
commitdiff
|
tree
2016-12-08
Tee
m
u
Murtola
Fix possible memory e
r
ror with long s
e
lections
commit
|
commitdiff
|
tree
2016-12-07
Teemu
Murtola
Fix use of
p
o
sition variables with plus/mer
g
e
commit
|
commitdiff
|
tree
2016-11-29
Tee
m
u Mu
r
t
o
la
A
d
ditional s
e
l
e
ction help
commit
|
commitdiff
|
tree
2016-11-06
T
eemu Murtola
Add selectio
n
-enab
l
ed
g
mx traj
commit
|
commitdiff
|
tree
2016-10-30
Teemu M
u
r
tola
S
u
ppo
r
t normalizing v
a
l
u
es i
n
KeyValueTree
commit
|
commitdiff
|
tree
2016-10-24
Teemu Murto
l
a
Electric field mdp pars
i
ng using op
t
ions
commit
|
commitdiff
|
tree
2016-10-24
Teemu
Murtola
Suppor
t
f
o
r default valu
e
s from Options to KeyValu
e
Tre
e
commit
|
commitdiff
|
tree
2016-10-21
Tee
m
u Mu
r
tola
Clean up option (defa
u
lt) value access
commit
|
commitdiff
|
tree
2016-10-19
Teemu
Murto
l
a
Serializ
a
t
i
on support for KeyValueTree
commit
|
commitdiff
|
tree
2016-10-17
Teem
u
M
urtola
Support option as
s
ignm
e
nt f
r
o
m different preci
s
ion
commit
|
commitdiff
|
tree
2016-10-17
T
e
emu Murt
o
la
Add s
u
pport for reading
values
f
rom
refda
t
a
commit
|
commitdiff
|
tree
2016-10-16
Teemu Murtola
I
m
proved er
r
or handlin
g
for KeyValueTree
operation
s
commit
|
commitdiff
|
tree
2016-10-15
Te
e
m
u Murt
o
la
Impro
v
ed add
r
ess
sanitizer support
commit
|
commitdiff
|
tree
2016-10-15
Teem
u
Mur
t
ola
Work ar
o
und memory le
a
k in t_state
commit
|
commitdiff
|
tree
2016-10-15
Teemu Mu
r
tola
Fix mos
t
m
e
mory lea
k
s recently intr
o
duced
commit
|
commitdiff
|
tree
2016-10-14
Teem
u
Murtola
Use gmx_mtop_t in
s
elections, par
t
3
commit
|
commitdiff
|
tree
2016-10-14
Teemu Murto
l
a
Use gmx_mtop_
t
in s
e
lections, part 2
commit
|
commitdiff
|
tree
2016-10-13
T
eemu M
u
rtola
Use gmx_mt
o
p
_t in select
i
ons,
p
ar
t
2
commit
|
commitdiff
|
tree
2016-10-13
Teemu Murtola
A
d
d back-mapping to KeyValueT
r
eeTransform
commit
|
commitdiff
|
tree
2016-10-13
Teemu Mur
t
ola
Update bundl
e
d
T
NG
commit
|
commitdiff
|
tree
2016-10-13
Teemu
Mu
r
tola
Getter
for m
a
pped paths f
r
om KeyValueTreeTrans
f
or
m
commit
|
commitdiff
|
tree
2016-10-12
Teemu Murtol
a
U
se gmx
_
mtop
_
t in selections,
p
art 1
commit
|
commitdiff
|
tree
2016-10-12
Teemu M
u
rtola
Wrap s
e
l
.
method evalu
a
tion
p
arameters
t
o
s
t
ruct
commit
|
commitdiff
|
tree
2016-10-11
Teemu Mu
r
tola
Suppo
r
t concurrent t_topology
and gmx_mtop_t
u
se
commit
|
commitdiff
|
tree
2016-10-11
Teem
u
Murtol
a
Che
c
k atom mass availability
in selections
commit
|
commitdiff
|
tree
2016-10-05
Teemu Murtola
Support
d
iffere
n
t
ke
y
m
a
t
ching in
KeyValu
e
TreeTransform
commit
|
commitdiff
|
tree
2016-10-05
T
e
emu
Murtola
Merge "Merge bran
c
h
rele
a
se-5-1 into releas
e
-2016"
.
.
.
commit
|
commitdiff
|
tree
2016-09-24
Teemu
M
urtola
F
i
x
default nice level in mdrun-only build
commit
|
commitdiff
|
tree
2016-09-12
T
eemu Murtola
Fix various
memory leaks
commit
|
commitdiff
|
tree
2016-09-07
Tee
m
u Murto
l
a
Clean up CTest te
s
t management
commit
|
commitdiff
|
tree
2016-08-30
Teemu Murto
l
a
B
asic
s
u
p
p
o
rt for transformin
g
KeyValueTrees
commit
|
commitdiff
|
tree
2016-08-27
Te
e
mu Mur
t
o
la
S
upport KeyVa
l
ueTree objec
t
s in refdat
a
commit
|
commitdiff
|
tree
2016-08-18
Teemu Murto
l
a
Check for unused refda
t
a values
commit
|
commitdiff
|
tree
2016-08-18
Teemu
Murtola
Generi
c
str
u
c
ture
d
ke
y
-v
a
lue tree for options
commit
|
commitdiff
|
tree
2016-08-18
Teemu Murtol
a
S
upport f
o
r non-string op
t
i
o
n value
assignment
commit
|
commitdiff
|
tree
2016-08-17
Teemu
M
urtola
Basic s
u
pport
f
or
a
rray-of-st
r
ucts in
options
commit
|
commitdiff
|
tree
2016-08-17
Teemu Murto
l
a
Gener
a
lize and si
m
plify optio
n
value
s
tora
g
e
commit
|
commitdiff
|
tree
2016-08-17
Tee
m
u Murtol
a
G
e
neralize option section inte
r
nals
commit
|
commitdiff
|
tree
2016-08-17
T
e
em
u
Murtola
Re
i
mplement subs
e
ctions in Opt
i
ons
commit
|
commitdiff
|
tree
2016-08-04
Teemu Murt
o
la
Fix/im
p
ro
v
e
d
oc
links i
n
t
e
mplat
e
/
R
E
A
DME
commit
|
commitdiff
|
tree
2016-08-01
Teemu Murto
l
a
F
u
nction to sp
l
it de
l
imi
t
ed
s
t
ring
s
commit
|
commitdiff
|
tree
2016-07-14
Teemu Murtola
Use new
e
r gcc for coverage
commit
|
commitdiff
|
tree
2016-07-07
T
eemu Murtol
a
Cha
n
ge
handling for missing
releng docs
commit
|
commitdiff
|
tree
2016-06-30
Teemu Murt
o
la
Ext
r
ac
t
s
t
r
i
ng par
s
ing r
o
utin
e
s to util
i
ty
commit
|
commitdiff
|
tree
2016-06-28
Teemu M
u
r
tola
Split up compare
.
*
commit
|
commitdiff
|
tree
2016-06-27
Teemu Murtola
F
a
ctory for creating t
_
inputrec
commit
|
commitdiff
|
tree
2016-06-01
Te
e
mu Murtola
Use C+
+
repla
c
ement f
o
r
m
d_
l
ogging
.
*
commit
|
commitdiff
|
tree
2016-06-01
Tee
m
u M
u
rtol
a
Ba
s
ic C++ logging inter
f
ace
commit
|
commitdiff
|
tree
2016-05-31
Teemu Murtola
I
m
prove make_ndx hel
p
text
commit
|
commitdiff
|
tree
2016-05-25
Teemu Murtola
Support fo
r
real MPI unit t
e
sts
commit
|
commitdiff
|
tree
2016-05-24
Teemu Murtola
T
e
s
ts for single-rank t
h
r
e
ad affi
n
i
t
y setting
commit
|
commitdiff
|
tree
2016-05-21
Teemu M
u
rtola
P
ass number of local threads to thread aff
i
n
it
y
commit
|
commitdiff
|
tree
2016-05-21
Teemu Murt
o
la
A
llo
w
creat
i
ng mock Har
d
war
e
Topol
o
gy o
b
je
c
ts
commit
|
commitdiff
|
tree
2016-05-21
Teemu Mur
t
ola
Use
on
l
y
H
a
rdwareTopology
f
or thread af
f
i
nity
commit
|
commitdiff
|
tree
2016-05-21
Teemu Murtola
M
e
rge b
r
anch rele
a
se-2016
commit
|
commitdiff
|
tree
2016-05-21
Teemu Murtola
Bump
v
ersion
numbers for 2017 de
v
el
o
pment
commit
|
commitdiff
|
tree
2016-05-17
Teemu Murt
o
la
Fix some thread affinity
c
a
ses
commit
|
commitdiff
|
tree
2016-05-10
T
e
emu
Murtola
Ad
d
itio
n
al Jenkins docume
n
t
a
tion
commit
|
commitdiff
|
tree
2016-05-10
T
e
emu
M
u
r
t
o
l
a
Include releng do
c
umentation
t
o d
e
velo
p
er guide
commit
|
commitdiff
|
tree
2016-05-08
Teemu
M
urtola
Support
f
o
r OpenCL C
I
builds
commit
|
commitdiff
|
tree
2016-05-05
T
eemu Murtola
Me
r
ge branch release-5-1
commit
|
commitdiff
|
tree
2016-05-05
Teemu Murtola
Make Sphinx bu
i
ld silent for ver
s
ion 1
.
3+
commit
|
commitdiff
|
tree
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