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Merge branch release-5-0 into release-5-1
2016-03-11
Mar
k
Abraham
Merge bran
c
h rele
a
se
-
5-0
i
nto relea
s
e
-
5
-1
commit
|
commitdiff
|
tree
2016-02-19
Mark
Ab
r
aham
M
a
ke b
o
t
h
ftp and http
links fo
r
source down
l
oad
commit
|
commitdiff
|
tree
2016-02-18
Mark Abraham
Updated reference
manual text abou
t
PME tu
n
ing
commit
|
commitdiff
|
tree
2016-02-16
Mark Ab
r
aham
Merge bra
n
ch release-
5
-0 into release-
5
-1
commit
|
commitdiff
|
tree
2016-02-14
Mark
A
braham
Re-
g
enerated eps for
f
ig
u
re 4
.
8
commit
|
commitdiff
|
tree
2016-02-08
M
ark Abraha
m
M
e
rge bran
c
h releas
e
-5-0 in
t
o releas
e
-
5
-1
commit
|
commitdiff
|
tree
2016-02-03
Mark Abraham
Bumped pa
t
ch number to prepare for
future 5
.
1
.
3 release
commit
|
commitdiff
|
tree
2016-02-03
Ma
r
k Abraham
Version
5
.
1
.
2
commit
|
commitdiff
|
tree
2016-02-03
Mark Abraham
Fix grompp
n
ot
w
a
r
ning when
.
m
dp values have wrong
.
.
.
commit
|
commitdiff
|
tree
2016-02-03
M
ark Abraham
Me
r
ge
r
elease-5-0 into
r
elease-5
-
1
commit
|
commitdiff
|
tree
2016-02-03
Mar
k
Abraham
Fi
x
dE
k
in/dl han
d
ling w
i
th m
u
ltiple r
a
nks
commit
|
commitdiff
|
tree
2016-01-28
Mark
Abraham
Add Op
e
nCL source
f
ile types to copyright
c
h
ecker
commit
|
commitdiff
|
tree
2016-01-27
Mark Abraham
Ad
d
s
u
g
g
e
st
i
ons for u
p
dati
n
g binutils
commit
|
commitdiff
|
tree
2016-01-26
Mark Abraham
F
i
x de
f
a
u
lt for GMX_U
S
E
_
NVML
commit
|
commitdiff
|
tree
2016-01-24
Mark Ab
r
aham
F
i
x d
u
plicate L
a
TeX equation label
commit
|
commitdiff
|
tree
2016-01-24
M
ar
k
A
b
ra
h
am
Update r
e
ferences to
HTML and online doc
u
m
entation
commit
|
commitdiff
|
tree
2016-01-13
Mark
A
braham
Allowed NV
M
L support to
b
e toggled
commit
|
commitdiff
|
tree
2016-01-12
Mark Abraham
Me
r
ge branch
r
e
lease-
5
-
0 into release-5-1
commit
|
commitdiff
|
tree
2016-01-07
M
ark Abraham
Avo
i
d more C++ binding
s
for MPI
commit
|
commitdiff
|
tree
2016-01-07
Mark Ab
r
aham
Docu
m
ent how potential-switch works
commit
|
commitdiff
|
tree
2016-01-07
Mark
A
braham
Stop using UNDEFINE
D
as name
of a symbol
commit
|
commitdiff
|
tree
2016-01-07
Mark Abraha
m
Ba
c
kp
o
rt m
d
-vv
fixes
commit
|
commitdiff
|
tree
2015-12-27
Mark
A
braha
m
F
ix some OpenCL issues
commit
|
commitdiff
|
tree
2015-12-12
Mark
Abraham
Require Nose-Hoo
v
er with MTTK
commit
|
commitdiff
|
tree
2015-12-11
Mark Ab
r
aham
Stop global commun
i
cati
o
n depending
o
n inte
g
rator
commit
|
commitdiff
|
tree
2015-12-08
Mark
Abraham
Merge bra
n
ch 'release-5-0' into releas
e
-5-1
commit
|
commitdiff
|
tree
2015-12-08
Mark Abraham
Fix Trotter integra
t
ion
commit
|
commitdiff
|
tree
2015-11-24
Mark Ab
r
a
h
am
Fix error in
m
ulti-sim communicat
i
on
commit
|
commitdiff
|
tree
2015-11-14
Mark Abraham
Fix
w
alltim
e
measure
m
e
n
t with bgcl
a
ng
commit
|
commitdiff
|
tree
2015-11-11
Mark A
b
ra
h
am
Merge releas
e
-5-
0
i
n
t
o
rele
a
s
e-5-1
commit
|
commitdiff
|
tree
2015-11-10
M
a
rk A
b
rah
a
m
B
u
m
p
patch
version to prepa
r
e f
o
r 5
.
1
.
2
commit
|
commitdiff
|
tree
2015-11-04
M
ark
Ab
r
aham
Version 5
.
1
.
1
commit
|
commitdiff
|
tree
2015-10-28
Mark Abraham
Supp
r
ess warnings
w
h
en we
have OpenCL 2
.
0 supp
o
rt
commit
|
commitdiff
|
tree
2015-10-19
Mark
Abraha
m
F
i
x cycle subcoun
t
e
rs
commit
|
commitdiff
|
tree
2015-10-14
M
a
rk Abra
h
am
M
erge release-5-
0
into release-5-1
commit
|
commitdiff
|
tree
2015-10-14
Mark Abraham
Version
b
umps
after
r
e
l
ease
commit
|
commitdiff
|
tree
2015-10-14
Mark Ab
r
aham
Version 5
.
0
.
7
commit
|
commitdiff
|
tree
2015-10-13
Mark Abraham
Merge branch release-4-6
int
o
r
e
lea
s
e-5-0
commit
|
commitdiff
|
tree
2015-10-07
Ma
r
k Abraham
Fixed FFTW detection status message
l
ocatio
n
commit
|
commitdiff
|
tree
2015-10-05
M
ark Abra
h
am
Merge release
-
5-0 into r
e
lease-5-
1
commit
|
commitdiff
|
tree
2015-10-03
Mark Abraham
Fix FindFFT
W
be
h
avi
o
ur
commit
|
commitdiff
|
tree
2015-10-03
Mark Abraham
Fix mdru
n
-nb
a
u
to -reru
n
w
i
th
GP
U
and e
n
ergy gr
o
ups
commit
|
commitdiff
|
tree
2015-09-26
Mark Abraham
Fix rea
c
tion-fi
e
ld wa
r
ning message
commit
|
commitdiff
|
tree
2015-09-06
M
a
r
k Abraham
Add
GROMACS 5 pa
p
er to paper
l
is
t
s
commit
|
commitdiff
|
tree
2015-08-19
M
a
rk Abraham
Harden FindSphinx
.
cmake
commit
|
commitdiff
|
tree
2015-08-14
M
a
rk Abraham
Bump pa
t
ch v
e
r
s
ion to prepare f
o
r
5
.
1
.
1
commit
|
commitdiff
|
tree
2015-08-14
Mar
k
Abraha
m
Version 5
.
1
commit
|
commitdiff
|
tree
2015-08-13
Ma
r
k
Abraham
Ma
k
e it easier to
find selection help
commit
|
commitdiff
|
tree
2015-08-13
M
ark Abraham
M
ake
i
t easier to
find
select
i
o
n help
commit
|
commitdiff
|
tree
2015-08-13
Mark
A
bra
h
am
Re-enable multi-GPU s
u
pport in
Op
e
nCL
for threa
d
MPI
commit
|
commitdiff
|
tree
2015-08-13
Mark Abr
a
ham
Documenta
t
ion fixes
commit
|
commitdiff
|
tree
2015-08-13
Mar
k
Abraham
A
v
o
i
d
FP exceptio
n
w
ith empty
.
mdp fi
l
e
commit
|
commitdiff
|
tree
2015-08-12
M
ark Abrah
a
m
Add
d
o
cum
e
nta
t
io
n
for energygrps with GPUs
commit
|
commitdiff
|
tree
2015-08-12
Mark Abraham
Add t
o
author
lists
commit
|
commitdiff
|
tree
2015-08-11
M
a
r
k Abraham
Abort if PME tuning is active and counters re
s
et
commit
|
commitdiff
|
tree
2015-08-10
Mark Abraham
Require
t
u
ne_pme to
take -mdrun parameter
commit
|
commitdiff
|
tree
2015-08-08
Mark
Abr
a
h
a
m
M
e
rge b
r
anch
releas
e
-5-0 into r
e
l
e
ase-5-
1
commit
|
commitdiff
|
tree
2015-08-08
Ma
r
k Abraham
Fi
x
docs of ftypes of
d
ihe
d
ral
s
commit
|
commitdiff
|
tree
2015-08-06
Mark A
b
rah
a
m
Fix FindNV
M
L
.
cmake
commit
|
commitdiff
|
tree
2015-08-06
Mark Abraham
F
i
x thread-a
f
fi
n
ity
c
heck
i
ng
commit
|
commitdiff
|
tree
2015-08-05
Mark A
b
raham
Fix
e
m
d
ash
in ne
w
r
e
ference
commit
|
commitdiff
|
tree
2015-08-04
Mark Abraha
m
Merge release-5-0 into release-5
-
1
commit
|
commitdiff
|
tree
2015-08-03
Mark Abraham
Fix use of
wrongly
-
n
a
med G
C
C minor-versi
o
n varia
b
le
commit
|
commitdiff
|
tree
2015-08-03
Mark Abraham
Fix p
o
ssible linking of libxm
l
2 to zlib
commit
|
commitdiff
|
tree
2015-07-26
M
ark Abraham
Merge branch release-5-0 into release-5-1
commit
|
commitdiff
|
tree
2015-07-26
M
ark Ab
r
aham
Stop
m
d
run printing potentially undefin
e
d
v
alue
commit
|
commitdiff
|
tree
2015-07-26
Mark A
b
raham
Vers
i
on bu
m
ps after new re
l
ease
commit
|
commitdiff
|
tree
2015-07-24
M
ark
Abraham
Version 5
.
0
.
6
commit
|
commitdiff
|
tree
2015-07-19
Mark A
b
raham
Update
a
dvice about grompp -t
commit
|
commitdiff
|
tree
2015-07-08
M
a
rk Abr
a
ham
Give
b
T
y
p
eP
e
rturbed a va
l
i
d initia
l
v
a
lue
commit
|
commitdiff
|
tree
2015-07-08
Mar
k
Abraham
Fix g
r
ompp
.
edr I
O
estimate for f
r
ee-energy calcs
commit
|
commitdiff
|
tree
2015-07-06
Mark
A
brah
a
m
First
5
.
1 release can
d
idate
commit
|
commitdiff
|
tree
2015-07-03
Mark Abraha
m
Fix Thr
e
adMPI GPU assumptions
commit
|
commitdiff
|
tree
2015-06-30
Mark Abr
a
ham
Document h
o
w to add
a
nd use
N
VM
L
support
commit
|
commitdiff
|
tree
2015-06-30
Mark
A
braham
Avoid
GPU data
r
ace also
with OpenCL
commit
|
commitdiff
|
tree
2015-06-30
Mark Ab
r
aham
Add supp
o
rt
f
or flus
h
ing WDDM queue
commit
|
commitdiff
|
tree
2015-06-29
Mark Ab
r
aham
Mer
g
e "Merg
e
branch release-5-0"
commit
|
commitdiff
|
tree
2015-06-29
Mark Abraham
Mer
g
e b
r
anch relea
s
e
-5-0
commit
|
commitdiff
|
tree
2015-06-29
Ma
r
k
A
braham
Documented build types in d
e
ve
l
ope
r
guide
commit
|
commitdiff
|
tree
2015-06-29
M
a
rk Abraham
M
e
r
ge
r
el
e
ase-4-6
i
nto release-5-0
commit
|
commitdiff
|
tree
2015-06-29
M
a
rk
Abraham
Add MSAN build type
commit
|
commitdiff
|
tree
2015-06-29
Ma
r
k Abra
h
am
F
i
x all us
e
of nbnx
n
_simd
.
h
commit
|
commitdiff
|
tree
2015-06-27
Ma
r
k Ab
r
aham
Me
r
ge
release-5-0
i
nto master
commit
|
commitdiff
|
tree
2015-06-26
Mark Abraham
Merge releas
e
-4-6 into rele
a
s
e
-
5-0
commit
|
commitdiff
|
tree
2015-06-26
Mark
Abrah
a
m
F
i
x mdrun -confout somet
i
mes affecting final
.
e
d
r fr
a
m
e
commit
|
commitdiff
|
tree
2015-06-25
Mark Abraham
M
e
rge "Me
r
ge relea
s
e
-
5-0 int
o
master"
commit
|
commitdiff
|
tree
2015-06-25
Mar
k
Abraham
Merge release-
5
-0
into master
commit
|
commitdiff
|
tree
2015-06-24
Mark Ab
r
aham
Merge rel
e
ase-4-6 int
o
release-5-0
commit
|
commitdiff
|
tree
2015-06-18
Ma
r
k
A
braham
Fi
x
typo in GMX_BUILD_OWN_F
F
T
W
m
e
ssage
commit
|
commitdiff
|
tree
2015-06-16
Ma
r
k
A
br
a
ham
S
t
op people insta
l
l
in
g
into t
h
e b
u
i
l
d tree
commit
|
commitdiff
|
tree
2015-06-16
Mark Abraham
Move c
o
de for
m
anag
i
ng
mdrun -cpi and -a
p
pend
commit
|
commitdiff
|
tree
2015-06-16
Mark Abraham
F
ix pairs
_
nb not
r
ecognized as
part of molecul
e
type
commit
|
commitdiff
|
tree
2015-06-16
Mark Abraham
Add uni
t
tes
t
s for ArrayRef
commit
|
commitdiff
|
tree
2015-06-12
Mark Abraham
F
ix commandlin
e
test da
t
a
commit
|
commitdiff
|
tree
2015-06-11
M
ark
A
braham
Merge
"
Merge
b
ranch release
-
4-6 i
n
to r
e
lease-5-0" i
n
to
.
.
.
commit
|
commitdiff
|
tree
2015-06-11
Ma
r
k Abr
a
ham
H
a
ndle ti
m
ing better
i
n Je
n
k
i
ns
commit
|
commitdiff
|
tree
2015-06-11
Mar
k
A
b
r
aham
Clean up
v
sit
e
int
e
rac
t
ion
c
le
a
n-up code
commit
|
commitdiff
|
tree
2015-06-09
Ma
r
k Abraham
Document limit
a
tion
s
of trjc
o
nv -d
u
mp
commit
|
commitdiff
|
tree
2015-06-09
Mark Abraham
Merge b
r
anch release-4-6 into release-5-0
commit
|
commitdiff
|
tree
2015-06-05
M
ark Abraham
Remove gmx_simd_check_
a
nd_reset_ov
e
rflow
commit
|
commitdiff
|
tree
next