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Merge branch release-5-1
2016-01-08
Mark Abraham
M
erge branch release-5
-
1
commit
|
commitdiff
|
tree
2016-01-07
Mark
A
br
a
h
am
Fix some mdrun
h
eader dependencies
commit
|
commitdiff
|
tree
2016-01-07
Mark Abraham
Av
o
i
d mo
r
e C++ bi
n
dings
for MPI
commit
|
commitdiff
|
tree
2016-01-07
Mark Abrah
a
m
Document
how
p
ote
n
tial-switch works
commit
|
commitdiff
|
tree
2016-01-07
Ma
r
k Abraham
Stop
u
si
n
g UNDEFINED as
name
of a symbol
commit
|
commitdiff
|
tree
2016-01-07
Mark Abraham
R
e
move fields used only for SD
2
commit
|
commitdiff
|
tree
2016-01-07
Mark Abr
a
ham
R
e
m
ove S
D
2 integrator
commit
|
commitdiff
|
tree
2016-01-06
Mark Abraham
Fix spurious gcc warning
commit
|
commitdiff
|
tree
2016-01-05
Mar
k
Abraham
Fix l
o
gic for DD missing-inter
a
c
tions che
c
k
commit
|
commitdiff
|
tree
2016-01-05
Mark Abraham
Use EXPECT_TRUE
a
nd EXPECT_FALSE in
n
ew
S
IMD tests
commit
|
commitdiff
|
tree
2016-01-04
Ma
r
k Abraham
Change GMX_DOUBLE
to be always
d
ef
i
n
ed
commit
|
commitdiff
|
tree
2015-12-28
Mark
Abraham
Create
i
n
vertmatri
x
.
h
commit
|
commitdiff
|
tree
2015-12-28
M
ark Ab
r
ah
a
m
M
e
rge
branch releas
e
-
5
-1
commit
|
commitdiff
|
tree
2015-12-27
Mark
A
b
raham
F
i
x
s
ome OpenCL issues
commit
|
commitdiff
|
tree
2015-12-24
Mark A
b
rah
a
m
Move
d
re
s
ponsibili
t
y for f_glo
b
al
commit
|
commitdiff
|
tree
2015-12-24
Mark
Abraham
Shell c
o
de
c
leanup
commit
|
commitdiff
|
tree
2015-12-17
Mark Abraham
Simpli
f
i
ed energ
y
-s
u
mm
a
tion cod
e
commit
|
commitdiff
|
tree
2015-12-12
M
a
rk Abraham
Br
o
ke up copyright
.
*
commit
|
commitdiff
|
tree
2015-12-12
Mark
A
b
r
aham
Require
N
ose-Hoover with MTTK
commit
|
commitdiff
|
tree
2015-12-11
Mark Abrah
a
m
Stop global
communication
d
e
pending on in
t
egrator
commit
|
commitdiff
|
tree
2015-12-10
M
a
rk Abraham
Merge
branch 'origin/release-5-1'
commit
|
commitdiff
|
tree
2015-12-09
Mark Abraha
m
U
p
da
t
e
use of preprocess
o
r in managing GPU su
p
po
r
t
commit
|
commitdiff
|
tree
2015-12-08
Mark Abraham
M
e
r
ge
branch 'rel
e
a
s
e-5-0'
into release-5
-
1
commit
|
commitdiff
|
tree
2015-12-08
Mark Ab
r
aha
m
Fi
x
T
r
otte
r
i
n
t
eg
r
a
t
i
on
commit
|
commitdiff
|
tree
2015-12-03
Mar
k
A
b
raham
Remov
e
mdrun -compact
commit
|
commitdiff
|
tree
2015-12-02
Ma
r
k Abraham
R
emo
v
e
t
wi
n
-range
s
c
heme
commit
|
commitdiff
|
tree
2015-11-30
Mark
Abra
h
am
Ref
a
ctor h
a
rdware in
f
ormat
i
on management
commit
|
commitdiff
|
tree
2015-11-25
Mark A
b
rah
a
m
Fix logic of dd_print_missing_in
t
eractions exit
commit
|
commitdiff
|
tree
2015-11-24
Mark Ab
r
aham
Fix
e
rr
o
r
in multi-
s
im com
m
un
i
cation
commit
|
commitdiff
|
tree
2015-11-23
Mark
A
braham
Update
and expand
pre-submit com
m
i
t matrix
commit
|
commitdiff
|
tree
2015-11-22
M
a
r
k
A
braham
Fix generic group-scheme kernel ta
b
le de
r
eferencing
commit
|
commitdiff
|
tree
2015-11-20
Mark Abr
a
ham
Split wallcycle interface
commit
|
commitdiff
|
tree
2015-11-20
M
ark Abraham
Remov
e
e
wcWAIT_GPU_NB_L_E
S
T
commit
|
commitdiff
|
tree
2015-11-19
Mark Abraham
Simplified ini
t
and mdrun code
commit
|
commitdiff
|
tree
2015-11-16
Mark
A
b
r
ah
a
m
Fix use
of
#if vs #if
d
e
f
commit
|
commitdiff
|
tree
2015-11-16
Mark Abraham
Remove t_adress
commit
|
commitdiff
|
tree
2015-11-16
Mar
k
Ab
r
aham
Fix Al
i
gnedAllocator with
MSVC2
0
15 debug
m
ode
commit
|
commitdiff
|
tree
2015-11-16
Mark Ab
r
aham
Rem
o
v
e
d state
_
gl
o
bal from mdrun en
e
rgy-summatio
n
commit
|
commitdiff
|
tree
2015-11-16
Mark Abrah
a
m
Remove "sup
p
ort
"
for twi
n
-range wit
h
VV integ
r
ators
commit
|
commitdiff
|
tree
2015-11-16
Mark
Abraha
m
M
erge branch
r
eleas
e
-5-1
commit
|
commitdiff
|
tree
2015-11-15
Mark
Abraham
Remove
A
dRe
s
S
commit
|
commitdiff
|
tree
2015-11-15
Mark Abraham
Move re
s
ponsibility for FFT
d
escription string
commit
|
commitdiff
|
tree
2015-11-14
Mark
A
braham
Moved all cool stuff
to
i
ts own
file
commit
|
commitdiff
|
tree
2015-11-14
Mark Abraham
Fix wa
l
ltime measureme
n
t with b
g
cla
n
g
commit
|
commitdiff
|
tree
2015-11-13
Mark Abraham
U
p
d
ate includesorter
.
py
commit
|
commitdiff
|
tree
2015-11-11
Mark Abr
a
ham
Merge release-5-
0
into rele
a
s
e-5-1
commit
|
commitdiff
|
tree
2015-11-10
M
a
r
k
Abraham
Bump patch version to prepare
f
o
r
5
.
1
.
2
commit
|
commitdiff
|
tree
2015-11-05
Mark Abraham
Move DD ha
s
hing to domdec module
commit
|
commitdiff
|
tree
2015-11-05
Mark Abra
h
am
Handle an
o
t
h
er un
u
sed vari
a
ble
commit
|
commitdiff
|
tree
2015-11-04
M
ark
Abraham
Permit matr
i
x
b
uild with RelWithD
e
b
Info s
e
t
commit
|
commitdiff
|
tree
2015-11-04
Mar
k
Abraham
Merge branch
r
ele
a
se-5-1
commit
|
commitdiff
|
tree
2015-11-04
Mark
A
b
raha
m
Eve
n
l
e
ss moving
from u
n
ique_ptr
commit
|
commitdiff
|
tree
2015-11-04
Mark Abr
a
ham
Version
5
.
1
.
1
commit
|
commitdiff
|
tree
2015-11-04
Mark
Ab
r
aham
Fix icc 16 issu
e
s
commit
|
commitdiff
|
tree
2015-11-04
Mark Abraham
Sto
p
m
o
vi
n
g from uniq
u
e_pt
r
w
h
en copy el
i
sion works
commit
|
commitdiff
|
tree
2015-11-03
M
ark Abraham
Quiet warnings
with c
l
an
g
-3
.
7
commit
|
commitdiff
|
tree
2015-11-03
Mark A
b
r
a
ham
Merge
branch release-5-1
commit
|
commitdiff
|
tree
2015-11-02
Mark Abraham
Repl
a
ce boost::shared_ptr w
i
th
std::shared_ptr
commit
|
commitdiff
|
tree
2015-10-28
Mark Abraha
m
Use default alignment f
o
r OpenC
L
host buffe
r
commit
|
commitdiff
|
tree
2015-10-28
Mark Abraham
Separate
w
a
llc
y
cle r
e
spon
s
i
biliti
e
s
commit
|
commitdiff
|
tree
2015-10-28
Mark
A
braham
S
u
ppr
e
ss warnings when we hav
e
OpenCL
2
.
0
suppo
r
t
commit
|
commitdiff
|
tree
2015-10-23
Mark Abraham
Improve implementation o
f
cycle subcounting
commit
|
commitdiff
|
tree
2015-10-19
Ma
r
k Abr
a
ham
Fix cycle su
b
count
e
rs
commit
|
commitdiff
|
tree
2015-10-16
Mark
A
b
raham
Add Jenkins opti
o
ns matr
i
x
to source repo
commit
|
commitdiff
|
tree
2015-10-14
Mark Abraham
Merge release-5-0 int
o
rel
e
ase-5-1
commit
|
commitdiff
|
tree
2015-10-14
Mark Abr
a
h
am
Versio
n
bumps aft
e
r rel
e
ase
commit
|
commitdiff
|
tree
2015-10-14
M
a
rk Ab
r
aham
S
implify gencon
f
commit
|
commitdiff
|
tree
2015-10-14
Mark Abraham
Versi
o
n
5
.
0
.
7
commit
|
commitdiff
|
tree
2015-10-13
Mark Abraham
Merge branch release
-
4
-
6 into release-5-0
commit
|
commitdiff
|
tree
2015-10-09
Mark Abraham
Remove CGLO_R
E
RUNMD
commit
|
commitdiff
|
tree
2015-10-07
Mar
k
Abr
a
ham
Me
r
ge branch
re
l
eas
e
-5-
1
int
o
m
as
t
er
commit
|
commitdiff
|
tree
2015-10-07
Mark A
b
raham
Fi
x
ed FFTW detection st
a
t
u
s message location
commit
|
commitdiff
|
tree
2015-10-05
Mark Abraham
Merge
r
e
l
e
a
s
e-5-0 into
release
-
5
-1
commit
|
commitdiff
|
tree
2015-10-05
Mark A
b
raham
Merg
e
"Merge branch rele
a
s
e-5-1
i
n
to master"
commit
|
commitdiff
|
tree
2015-10-03
Mark Abraham
Fix Fi
n
dFFTW behaviour
commit
|
commitdiff
|
tree
2015-10-03
Mark Abraham
Fi
x
mdru
n
-nb auto -rerun wi
t
h GPU and energy gro
u
ps
commit
|
commitdiff
|
tree
2015-10-02
Mark Abraham
Temp
o
rari
l
y test on
a
m
achin
e
with only two GPUs
commit
|
commitdiff
|
tree
2015-09-29
Mark Abrah
a
m
Clean
up o
f
tabl
e
s
code
commit
|
commitdiff
|
tree
2015-09-29
Mark A
b
r
aha
m
Move
tables
.
c
to n
e
w module and C++
commit
|
commitdiff
|
tree
2015-09-29
Ma
r
k Abraham
Hard-code fewer
t
h
i
n
gs in table c
o
de
commit
|
commitdiff
|
tree
2015-09-28
Mar
k
Abraham
Eli
m
i
n
ate use of
t
y
p
edefs
.
h in k
e
rnel C code
commit
|
commitdiff
|
tree
2015-09-26
Mark Abraham
Fix reaction-field warning
m
ess
a
g
e
commit
|
commitdiff
|
tree
2015-09-16
M
a
rk Abraham
Re
m
ove GMX_NOC
H
ARGEGROUPS
commit
|
commitdiff
|
tree
2015-09-15
Mark Abraham
M
e
rge br
a
n
c
h
r
elea
s
e-5-1
commit
|
commitdiff
|
tree
2015-09-12
Mark Abraham
C
lean up tpxio
.
c
p
p
commit
|
commitdiff
|
tree
2015-09-09
Mar
k
Abr
a
ha
m
Red
u
ce misuse of f
a
talerror
.
h
commit
|
commitdiff
|
tree
2015-09-06
Mark Ab
r
aham
Add GROMACS 5
p
aper to
paper
lists
commit
|
commitdiff
|
tree
2015-09-04
Ma
r
k Abra
h
am
Fix
r
ecent tpr change
commit
|
commitdiff
|
tree
2015-09-03
Mark Abraham
Ne
v
e
r
o
p
erate on force array in
.
tpr
commit
|
commitdiff
|
tree
2015-08-28
Mark Ab
r
a
ham
K
e
e
p
hw_op
t
more co
n
st
commit
|
commitdiff
|
tree
2015-08-19
Mark Ab
r
aham
Harden FindSphinx
.
c
make
commit
|
commitdiff
|
tree
2015-08-17
Mark Abraham
R
e
mov
e
infrastructu
r
e for gmx protonate
commit
|
commitdiff
|
tree
2015-08-14
Mark Abr
a
ham
Mer
g
e
b
r
anch release-5-1 int
o
m
aste
r
commit
|
commitdiff
|
tree
2015-08-14
Mark Abrah
a
m
Bump p
a
t
c
h
v
e
r
sion
t
o prepar
e
for 5
.
1
.
1
commit
|
commitdiff
|
tree
2015-08-14
Mark Abraham
Ver
s
ion 5
.
1
commit
|
commitdiff
|
tree
2015-08-13
M
ark Abraham
Make i
t
easi
e
r
to find se
l
ection hel
p
commit
|
commitdiff
|
tree
2015-08-13
M
a
rk
A
braham
M
a
ke it
e
asier t
o
find s
e
lection
help
commit
|
commitdiff
|
tree
2015-08-13
M
ark Abraham
R
e-enable mult
i
-GPU support in Open
C
L for thread M
P
I
commit
|
commitdiff
|
tree
2015-08-13
Mark A
b
raham
Docu
m
enta
t
ion
fixes
commit
|
commitdiff
|
tree
2015-08-13
Mar
k
Abraham
Avoid FP exc
e
p
t
ion with empty
.
mdp fil
e
commit
|
commitdiff
|
tree
next