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
Update clang static analyzer slave to use version 4
2017-05-15
Mark Abraham
Update cl
a
n
g
s
t
at
i
c analyzer slave
t
o
u
se ver
s
ion
4
commit
|
commitdiff
|
tree
2017-05-14
M
ark
Abra
h
a
m
Update clang-4
commit
|
commitdiff
|
tree
2017-05-14
Justin Lem
k
ul
C
l
arification
s
to edit
c
onf help text
.
commit
|
commitdiff
|
tree
2017-05-09
Mark Abraham
Me
r
g
e branch release-2016
commit
|
commitdiff
|
tree
2017-05-09
Mark
A
b
r
a
ham
Cleaned
u
p me
m
ory usa
g
e in gmx
t
raj and trjconv
commit
|
commitdiff
|
tree
2017-04-19
Berk H
e
ss
Fix unu
s
ed SIMD PME
t
able
k
ernel
commit
|
commitdiff
|
tree
2017-04-17
Mark
A
braham
Min
o
r change t
o
G
P
U
c
ompa
t
ibili
t
y reportin
g
h
andli
n
g
commit
|
commitdiff
|
tree
2017-04-17
Mark Abrah
a
m
Propose
a
post-submit
matrix
commit
|
commitdiff
|
tree
2017-04-17
Teemu Mu
r
t
o
la
C
o
nsistent approach for
whole-program
t
ests
commit
|
commitdiff
|
tree
2017-03-31
M
a
r
k Abrah
a
m
Merge branc
h
releas
e
-2016
commit
|
commitdiff
|
tree
2017-03-22
M
a
r
k Ab
r
aham
Ad
d
sec
t
i
o
n
t
o use
r
g
uide
f
or m
a
na
g
ing
s
i
mul
a
tions
commit
|
commitdiff
|
tree
2017-03-17
M
.
Er
i
c Irrgang
A
d
d an
e
xtra verbose
t
arget
for
docs
commit
|
commitdiff
|
tree
2017-03-16
Szilárd Páll
P
rint
c
ode
o
f unknown
O
penC
L
e
r
ror
commit
|
commitdiff
|
tree
2017-03-14
Mark Abraham
Merge branch release-2016
commit
|
commitdiff
|
tree
2017-03-14
Mark Abraham
Bu
m
ped version to p
r
epare f
o
r next patch
r
elease
commit
|
commitdiff
|
tree
2017-03-13
Mark Ab
r
aham
Ve
r
sion
2
016
.
3
commit
|
commitdiff
|
tree
2017-03-13
Mar
k
Abraham
Modernize write_inpf
i
le
commit
|
commitdiff
|
tree
2017-03-13
M
ar
k
Abrah
a
m
Mode
r
nize read
_
in
p
file
commit
|
commitdiff
|
tree
2017-03-13
Ake
S
andgren
Fi
x
tune_pme dete
c
tion of
GPU
s
upport
commit
|
commitdiff
|
tree
2017-03-13
Ake
Sandgren
Fix s
p
acing in tun
e
_
pme call to thread-mpi mdr
u
n
commit
|
commitdiff
|
tree
2017-03-09
Szilárd Páll
Fix mdr
u
n hanging upon ex
i
t wit
h
sep
PME ranks
commit
|
commitdiff
|
tree
2017-03-07
Mark Abraham
Fix minor issues
in g
m
x traj -av -af
commit
|
commitdiff
|
tree
2017-03-04
Teemu Murtola
R
e
move
MDModu
l
es
u
se fr
o
m mdlib
commit
|
commitdiff
|
tree
2017-03-04
David van de
r
Sp
o
el
R
e
moves ro
g
ue
prin
t
ing to xv
g
file i
n
gmx mindist
commit
|
commitdiff
|
tree
2017-03-04
Teem
u
Mu
r
t
ola
S
plit md modul
e
fac
e
ts to
d
ifferent interfaces
commit
|
commitdiff
|
tree
2017-03-04
Mark Ab
r
aham
F
i
xes f
o
r xl com
p
i
lers 13
.
1
.
5 on Power8
commit
|
commitdiff
|
tree
2017-02-20
Mark Abra
h
am
Add tests for old gmx energy functio
n
al
i
t
y
commit
|
commitdiff
|
tree
2017-02-17
M
ark Ab
r
aham
U
s
e
g
mx::Mutex an
d
g
mx
:
:
l
ock_
g
u
a
rd to fi
x
some
i
ssues
commit
|
commitdiff
|
tree
2017-02-15
M
ar
k
Abrah
a
m
Merge bra
n
c
h relea
s
e-5-1 into rele
a
s
e-
2
01
6
commit
|
commitdiff
|
tree
2017-02-14
M
ark A
b
raham
Reduce compilation coupling
commit
|
commitdiff
|
tree
2017-02-10
M
a
r
k
Abraha
m
Corrected
outp
u
t
of gm
x
do_dssp
-
s
c
commit
|
commitdiff
|
tree
2017-02-09
Teemu Mu
r
to
l
a
M
ulti-rank thread aff
i
nity tests
commit
|
commitdiff
|
tree
2017-02-09
Mark Ab
r
aham
Com
p
l
ete the removal o
f
stateful RN
G
commit
|
commitdiff
|
tree
2017-02-09
Ma
r
k Abra
h
am
Im
p
r
o
v
ed state
_
change_natoms and
u
sed it
m
o
re
commit
|
commitdiff
|
tree
2017-02-09
T
e
e
m
u Murtola
Document key-v
a
lue tree transf
o
rms and improv
e
c
hecks
commit
|
commitdiff
|
tree
2017-02-08
Mark Ab
r
aham
Extend s
e
rialization to gmx_
i
n
t
64_t
commit
|
commitdiff
|
tree
2017-02-08
Teemu Murtola
G
e
ne
r
ic Key
V
al
u
eTre
e
broadcast
commit
|
commitdiff
|
tree
2017-02-08
T
e
emu Mur
t
ola
Gen
e
r
ic gmx che
c
k im
p
le
m
entatio
n
with KeyValueTree
commit
|
commitdiff
|
tree
2017-02-08
Teemu Murto
l
a
G
e
neric gmx dump implementation for K
e
yValueT
r
e
e
commit
|
commitdiff
|
tree
2017-02-08
Teemu Mu
r
tola
Generic
t
pr ha
n
d
ling fo
r
electric fi
e
l
d
commit
|
commitdiff
|
tree
2017-02-08
Aleksei Iupinov
PME force gathering tests
commit
|
commitdiff
|
tree
2017-02-08
Aleksei Iupinov
Fix invalid
t
riclin
i
c
box in
the PME t
e
st data
commit
|
commitdiff
|
tree
2017-02-08
Mark Abraham
Give MDM
o
dul
e
s re
s
ponsibil
i
ty
for op
t
ion
h
andli
n
g
commit
|
commitdiff
|
tree
2017-02-07
Vedran M
i
letić
Document runnin
g
C
la
n
g st
a
tic analyzer manually
commit
|
commitdiff
|
tree
2017-02-07
Mark
A
b
ra
h
am
Me
r
ge branch rele
a
se
-
2016
commit
|
commitdiff
|
tree
2017-02-07
Mark Abraha
m
Bump
e
d
v
e
rsion to
p
repare for next patch releas
e
commit
|
commitdiff
|
tree
2017-02-07
Mark Abraham
V
ersion 2016
.
2
commit
|
commitdiff
|
tree
2017-02-07
Berk Hess
Add
m
dp opti
o
n c
h
eck with deco
u
p
l
e
d m
o
des
commit
|
commitdiff
|
tree
2017-02-05
M
ark Abraham
Merge branc
h
release-5-1 into release-2
0
16
commit
|
commitdiff
|
tree
2017-02-03
Mark
A
braha
m
Remove
t
yp
e
d
ef
st
r
u
c
t
i
n some mdtypes files
commit
|
commitdiff
|
tree
2017-01-31
Mar
k
Abraham
Merge branch release-5-1 into release-2
0
16
commit
|
commitdiff
|
tree
2017-01-24
Aleks
e
i Iupin
o
v
PME spline computa
t
i
o
n
and charge spreading te
s
t
s
commit
|
commitdiff
|
tree
2017-01-24
Szilárd Pál
l
Re
m
ove unused ar
g
ument in GPU ker
n
els
commit
|
commitdiff
|
tree
2017-01-24
Aleksei
I
upinov
Add const qualifier
t
o some
PME spread
a
rgument
s
commit
|
commitdiff
|
tree
2017-01-23
Mark
Abra
h
am
Sto
p
ped
head
e
r files including st
a
te
.
h
commit
|
commitdiff
|
tree
2017-01-23
D
a
vid van der Spoel
Added r
e
f
e
rence for dihe
d
ral function in OPLS
.
commit
|
commitdiff
|
tree
2017-01-22
Mark Abraham
Fixed gm
x
rmsf -q -oq
.
commit
|
commitdiff
|
tree
2017-01-21
Mark
Abraham
Removed ini
t
_stat
e
commit
|
commitdiff
|
tree
2017-01-20
B
e
rk
Hes
s
Disallow overwriting of
d
ih
e
dral type 9
commit
|
commitdiff
|
tree
2017-01-19
Aleksei Iupinov
P
M
E
B-S
p
lin
e
mo
d
uli
c
omputation unit tes
t
commit
|
commitdiff
|
tree
2017-01-19
Berk Hes
s
Fi
x
PME
order and grid si
z
e checks
commit
|
commitdiff
|
tree
2017-01-18
Roland Sc
h
ulz
A
dd AlignedArray
commit
|
commitdiff
|
tree
2017-01-14
Mark Abraham
M
erge b
r
anc
h
rel
e
ase-2016
commit
|
commitdiff
|
tree
2017-01-06
Ma
r
k Ab
r
aha
m
Document
I
Ser
i
ali
z
e
r
class
commit
|
commitdiff
|
tree
2017-01-05
Roland Schulz
Fix
unitia
l
ized memory a
c
ce
s
s
commit
|
commitdiff
|
tree
2017-01-04
Ma
r
k Abraham
Stop trying to use objdum
p
--reloc on Mac
commit
|
commitdiff
|
tree
2017-01-04
Mark Abraham
F
ix d
o
c
umentation of Opti
o
nsVisitor
commit
|
commitdiff
|
tree
2017-01-03
Mark Abraham
Merg
e
br
a
nch
r
elea
s
e-5-
1
into
relea
s
e-
2
0
16
commit
|
commitdiff
|
tree
2016-12-20
Mark Abraham
C
o
rr
e
c
t
ed docume
n
ta
t
ion about
e
ige
n
v
a
lue handling
commit
|
commitdiff
|
tree
2016-12-20
Mark A
b
raham
Sanitize some include
hea
d
ers
commit
|
commitdiff
|
tree
2016-12-20
Mark Abraham
M
e
rge branc
h
releas
e
-2016
commit
|
commitdiff
|
tree
2016-12-10
Teemu Murtola
B
u
i
l
d
scripts for improved release workflow
commit
|
commitdiff
|
tree
2016-12-09
Mark Abraham
Re
m
o
v
e n
x
f
r
ame from t_trxst
a
t
u
s
commit
|
commitdiff
|
tree
2016-12-09
Szilár
d
Pál
l
Turn off hwloc
s
upport when stat
i
c lib
found
commit
|
commitdiff
|
tree
2016-12-08
Berk Hess
M
a
d
e mdrun -pforce ter
m
inate
w
i
t
h non-fin
i
te forces
commit
|
commitdiff
|
tree
2016-12-08
Te
e
mu Murtola
Fix possib
l
e memory err
o
r with long sel
e
ctio
n
s
commit
|
commitdiff
|
tree
2016-12-08
Mar
k
Abr
a
h
a
m
Consolidat
e
f
i
les
s
u
p
p
ortin
g
TNG f
i
l
e
I/O
commit
|
commitdiff
|
tree
2016-12-07
Mark Abraha
m
Merge
b
ranch r
e
lease-2016
commit
|
commitdiff
|
tree
2016-12-07
David van der Spoel
C
ouple o
f
n
e
w
q
uotes
commit
|
commitdiff
|
tree
2016-12-07
Teem
u
Murtola
F
i
x use of position variables wi
t
h
plus/mer
g
e
commit
|
commitdiff
|
tree
2016-12-07
Mark Abraham
Fix m
e
mory h
a
ndling in
gm
x
dump
of
TNG files
commit
|
commitdiff
|
tree
2016-12-05
Mar
k
A
b
raham
Rem
o
v
e
undue narrowing
of in
t
eger in
T
NG read
i
n
g
commit
|
commitdiff
|
tree
2016-12-01
Mark Ab
r
aham
Fi
x
m
i
nor t
r
jconv bug
commit
|
commitdiff
|
tree
2016-11-24
Berk
H
ess
C
h
ange spline modul
i
calc
u
lation
to double
commit
|
commitdiff
|
tree
2016-11-16
Carsten
K
utzner
Incr
e
ased the de
f
ault
r
eset step to 1500 in gm
x
t
u
n
e
_pme
commit
|
commitdiff
|
tree
2016-11-16
Mar
k
Abr
a
ham
Remove unimplement
e
d gmx trjcat
-vel
commit
|
commitdiff
|
tree
2016-11-08
Da
n
Horák
F
i
x x86 conditional
commit
|
commitdiff
|
tree
2016-11-01
Aleksei
Iupinov
Remove i
m
atrix typ
e
a
n
d related
unused/err
o
neous code
commit
|
commitdiff
|
tree
2016-10-31
Mark
A
b
raham
Me
r
ge bran
c
h relea
s
e-2016
commit
|
commitdiff
|
tree
2016-10-31
Mark Abraha
m
Merge branch release-201
6
commit
|
commitdiff
|
tree
2016-10-28
M
ark
A
b
raham
Bump
e
d ver
s
ion
to p
r
epare for n
e
xt p
a
t
ch release
commit
|
commitdiff
|
tree
2016-10-28
Mar
k
Abraham
Version 2016
.
1
commit
|
commitdiff
|
tree
2016-10-28
B
erk Hess
DLB can now turn o
f
f, when s
l
ower
commit
|
commitdiff
|
tree
2016-10-28
Szilárd Páll
G
P
U-
r
elated additions t
o
the install/user gu
i
de
commit
|
commitdiff
|
tree
2016-10-28
Ber
k
He
s
s
Fi
x
DLB timi
n
g with C
U
DA and OpenCL
commit
|
commitdiff
|
tree
2016-10-27
Szilárd Pál
l
Ma
k
e
-cl-fast-relaxed-math
defau
l
t
commit
|
commitdiff
|
tree
2016-10-21
M
ark Abraham
Update install guide
commit
|
commitdiff
|
tree
2016-10-21
Mark Abra
h
am
U
pd
a
t
e
cpp
c
hec
k
support
t
o
1
.
76
.
1
commit
|
commitdiff
|
tree
2016-10-19
Teemu
Murtola
Ser
i
alizat
i
on support for KeyV
a
lueTree
commit
|
commitdiff
|
tree
2016-10-19
M
a
rk Abraham
Upgrade
coverage m
a
trix
.
commit
|
commitdiff
|
tree
next