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Enable uncrustify for OpenCL
2018-04-26
Mark Abraham
R
e
v
ert "Tweak PME run mode ch
e
cks"
commit
|
commitdiff
|
tree
2018-04-25
Mark
A
braha
m
R
e
factor SD update
commit
|
commitdiff
|
tree
2018-04-18
Mark Abraham
I
n
trod
u
ce g
m
x_use
d
_in_
d
eb
u
g
commit
|
commitdiff
|
tree
2018-04-17
M
ark
Abraha
m
Shift per
-
step co
n
trol
l
ogic to do
_
md
commit
|
commitdiff
|
tree
2018-04-17
Mark Abra
h
a
m
Brea
k
apa
r
t update_c
o
nstraints
commit
|
commitdiff
|
tree
2018-04-16
Ma
r
k Ab
r
aha
m
Updated mdrun comparison infr
a
s
t
ructure
commit
|
commitdiff
|
tree
2018-04-13
M
ark Abraham
Merg
e
b
r
anch releas
e
-2018
commit
|
commitdiff
|
tree
2018-04-13
Mark Abraham
Clean up
constraint
s
c
ode
commit
|
commitdiff
|
tree
2018-04-12
Mark A
b
raham
R
em
o
v
e
u
s
e of where(), if DEBUG etc
.
commit
|
commitdiff
|
tree
2018-04-12
Mark Ab
r
ah
a
m
Reorgani
z
e
e
nergy
evaluation for EM
commit
|
commitdiff
|
tree
2018-04-05
Mark Abra
h
am
S
impl
i
fied ha
n
dling of simulation r
u
n
n
e
r
s
commit
|
commitdiff
|
tree
2018-04-05
Mark A
b
raham
Create
g
r
o
macs/mdrun module and move c
o
de
th
e
re
commit
|
commitdiff
|
tree
2018-04-04
M
a
r
k Abrah
a
m
Quiet
checkpoint
r
ead
i
ng
commit
|
commitdiff
|
tree
2018-04-03
M
a
r
k Abrah
a
m
Remove
l
eftover mention of tw
i
n-range
s
cheme
commit
|
commitdiff
|
tree
2018-04-03
Mark Abraham
M
erge
"
Merge branc
h
rel
e
ase-2
0
1
8
"
commit
|
commitdiff
|
tree
2018-03-28
Mar
k
Abraham
Free more memory in
g
rompp and mdrun
commit
|
commitdiff
|
tree
2018-03-28
Mark
Abr
a
ham
Merge
bra
n
ch release-2018
commit
|
commitdiff
|
tree
2018-03-27
Mark Abraham
Clarified m
d
p option
s
rela
t
ing to
b
onds
commit
|
commitdiff
|
tree
2018-03-27
Mark Ab
r
ah
a
m
M
o
re
g
cc-8 fixes fo
r
P
OWE
R
commit
|
commitdiff
|
tree
2018-03-22
Mark Abra
h
am
Updated to prepare
f
or 2
0
18
.
2 r
e
lease
commit
|
commitdiff
|
tree
2018-03-21
Mark
A
braham
Ve
r
sion 2018
.
1
commit
|
commitdiff
|
tree
2018-03-21
Mark Ab
r
aham
Merge "Merg
e
branch
r
elease-2016 into release
-
2018
.
.
.
commit
|
commitdiff
|
tree
2018-03-21
Ma
r
k Abraham
U
p
date release no
t
es for 2018
.
1
commit
|
commitdiff
|
tree
2018-03-20
M
a
rk
Abraham
Merge branch
releas
e
-2016 into
r
elease
-
2018
commit
|
commitdiff
|
tree
2018-03-20
Mark Abraham
Update use of gp
u
_id in Jen
k
i
n
s
commit
|
commitdiff
|
tree
2018-03-20
Mark Abraham
Up
d
ate us
e
of gpu_id in
J
enkins
commit
|
commitdiff
|
tree
2018-03-20
M
a
r
k Ab
r
aham
Up
d
ate use of
g
pu_id in J
e
nkins
commit
|
commitdiff
|
tree
2018-03-20
M
ark Abr
a
ham
Add
h
elpe
r
functio
n
to m
a
ke a vector
f
rom an
Ar
r
ayRef
commit
|
commitdiff
|
tree
2018-03-19
Mark A
b
raham
Fix V
S
X SIMD wit
h
g
c
c
8
commit
|
commitdiff
|
tree
2018-03-14
M
a
r
k
Abraham
M
a
ke a persistent physical node communicator
commit
|
commitdiff
|
tree
2018-03-13
M
ark A
b
raham
A
dd
m
ore co
n
st
to us
e
s of t_commre
c
a
n
d t_inputrec
commit
|
commitdiff
|
tree
2018-03-13
Mark Abrah
a
m
Introduce con
s
t
r
ai
n
_shake
commit
|
commitdiff
|
tree
2018-03-13
M
a
rk Abr
a
ham
Merge "Mer
g
e
bra
n
c
h
release-2018"
commit
|
commitdiff
|
tree
2018-03-12
Mark
Abraham
Test g
c
c-6
a
nd cuda-9
.
0
commit
|
commitdiff
|
tree
2018-03-06
Mark
Abraham
Merg
e
branch re
l
ease-2018
commit
|
commitdiff
|
tree
2018-03-06
Mark Abraham
Fixed d
v
d
lambda
for SHAKE + FE
commit
|
commitdiff
|
tree
2018-02-28
M
ark Abraham
Mov
e
d and removed constraint code
commit
|
commitdiff
|
tree
2018-02-28
Mark
A
braham
Reorganized constraint c
o
d
e
commit
|
commitdiff
|
tree
2018-02-27
M
a
rk Abraham
Fix GPU utils tes
t
commit
|
commitdiff
|
tree
2018-02-26
Mark
A
braham
Permit defi
n
e
.
m
d
p field to assign values
commit
|
commitdiff
|
tree
2018-02-26
Mark Abraham
Or
g
anize for record
i
ng 2016-era release notes and add
.
.
.
commit
|
commitdiff
|
tree
2018-02-21
Mark Ab
r
a
ham
Enhanced docs of pimpl pointer he
l
per
commit
|
commitdiff
|
tree
2018-02-19
Mark
A
br
a
ha
m
Remove cycle
suppr
e
s
sion
commit
|
commitdiff
|
tree
2018-02-19
Mark A
b
raham
Disall
o
we
d
ch
a
nge o
f
ensem
b
le
f
or
checkpoint re
s
tart
commit
|
commitdiff
|
tree
2018-02-16
Mark
A
brah
a
m
Merg
e
branch release-201
6
into release-2018
commit
|
commitdiff
|
tree
2018-02-16
M
a
rk
Abraha
m
Bumped p
a
tch version f
o
r n
e
xt
r
elease
commit
|
commitdiff
|
tree
2018-02-16
Mark Abra
h
am
Merge branch release-2018 i
n
to master
commit
|
commitdiff
|
tree
2018-02-16
Mark Abraham
Version 2016
.
5
commit
|
commitdiff
|
tree
2018-02-15
Ma
r
k Abraham
Us
e
struct for checkpoint header
c
o
nt
e
nt
s
commit
|
commitdiff
|
tree
2018-02-14
Mark Abraham
Remove r
e
ad_chec
k
point_state
commit
|
commitdiff
|
tree
2018-02-14
Mar
k
Abraham
U
se
s
td::ve
c
t
o
r for chec
k
poin
t
outpu
t
files
commit
|
commitdiff
|
tree
2018-02-14
Mark
A
braham
Merge branch
r
elease-2016 into re
l
e
a
se-2018
commit
|
commitdiff
|
tree
2018-02-14
Mark Abraham
Fix bug in che
c
kpoint
e
r
r
o
r
checki
n
g
commit
|
commitdiff
|
tree
2018-02-14
Mark Abraham
P
r
epare r
e
lease no
t
es for 2018
.
1
commit
|
commitdiff
|
tree
2018-02-13
Mar
k
Abrah
a
m
Use death test
o
nly when supported
commit
|
commitdiff
|
tree
2018-02-13
M
ark
Ab
r
ah
a
m
S
eparate multisim fro
m
c
o
m
mrec
commit
|
commitdiff
|
tree
2018-02-12
Mar
k
Abr
a
ham
Remove commr
e
c f
r
om hardware detection
commit
|
commitdiff
|
tree
2018-02-12
Mar
k
A
braham
Analyse threads
on node before se
t
t
i
n
g affinities
commit
|
commitdiff
|
tree
2018-02-12
Mark A
b
raham
F
i
x r
e
a
ding old force field
f
iles
commit
|
commitdiff
|
tree
2018-02-09
Mark Abrah
a
m
Merge branch r
e
l
ease
-
2
0
18
commit
|
commitdiff
|
tree
2018-02-08
M
ar
k
Abra
h
am
Us
e
more port
a
b
le python sheba
n
g
s
commit
|
commitdiff
|
tree
2018-02-08
Mar
k
Abraham
Merge
"Merge branch r
e
lease-2016 in
t
o
r
elease-2018
.
.
.
commit
|
commitdiff
|
tree
2018-02-08
M
a
rk
A
b
r
aham
Merge bran
c
h re
l
ease-20
1
6 i
n
to
r
elease-2018
commit
|
commitdiff
|
tree
2018-02-08
Ma
r
k A
b
raham
Merge "
M
erge branch 'release-2018'
i
n
to ma
s
ter"
commit
|
commitdiff
|
tree
2018-02-06
Mark Abra
h
am
Prevent log fil
e
energy aver
a
g
e
pr
i
nting dividing
b
y
.
.
.
commit
|
commitdiff
|
tree
2018-02-06
Mark Abraham
Use i
s
fini
t
e unambiguously
commit
|
commitdiff
|
tree
2018-01-30
Mark Abr
a
ha
m
R
eplace macros for multi-sim
commit
|
commitdiff
|
tree
2018-01-30
M
ark Abraham
Update GoogleTest to 1
.
8
.
0
commit
|
commitdiff
|
tree
2018-01-27
Mark Abraham
Re
m
ove unused dec
l
aration
commit
|
commitdiff
|
tree
2018-01-25
Mar
k
Ab
r
a
h
am
Remove
u
nus
e
d
f
ield
s
of t_c
o
mmrec
commit
|
commitdiff
|
tree
2018-01-25
Mark A
b
raham
Red
u
ced includes of common he
a
ders in
headers
commit
|
commitdiff
|
tree
2018-01-25
Mar
k
Ab
r
aham
Remo
v
ed mdrun
-
m
ulti
commit
|
commitdiff
|
tree
2018-01-24
Mark
A
braha
m
Chang
e
multi-si
m
tes
t
s
to use -mu
l
ti
d
ir
commit
|
commitdiff
|
tree
2018-01-24
Mark Ab
r
a
h
am
Remove g
m
x_inl
i
n
e
commit
|
commitdiff
|
tree
2018-01-24
Mark
A
br
a
ham
Teach
i
nclude sorter to ignore
cmake-t
e
st files
commit
|
commitdiff
|
tree
2018-01-24
Mark Ab
r
aham
M
o
ve Windows icc config to post
-
submit t
e
sting
commit
|
commitdiff
|
tree
2018-01-24
Mar
k
Abraham
Replace gmx_b
o
o
l
with b
o
ol
in
b
itm
a
sk
func
t
io
n
s
commit
|
commitdiff
|
tree
2018-01-23
Mark Abraham
Re
m
ove support for implicit
s
olvation
commit
|
commitdiff
|
tree
2018-01-23
M
ark Abraham
Remove to
p
olog
y
su
p
port for impl
i
cit solv
a
tion
commit
|
commitdiff
|
tree
2018-01-23
M
ark Abraham
P
r
e
l
i
minary
cleanup
b
efo
r
e removing i
f
d
e
f cplusplus
commit
|
commitdiff
|
tree
2018-01-19
Mark Abraham
Merge
"
Merge br
a
nch 'release-2018' in
t
o
master"
commit
|
commitdiff
|
tree
2018-01-19
M
ark Abraham
Add dev-gui
d
e doc
s
f
or au
t
oma
t
ic update
o
f
regress
i
onte
s
ts
commit
|
commitdiff
|
tree
2018-01-19
M
a
r
k Abraham
Fixes for
issues found by cla
n
g 6
commit
|
commitdiff
|
tree
2018-01-18
Ma
r
k Ab
r
ah
a
m
Bump ver
s
ion numbers
f
o
r 2019 d
e
ve
l
opme
n
t
commit
|
commitdiff
|
tree
2018-01-18
Mark Abraham
Remove support for
B
lu
e
Gene
commit
|
commitdiff
|
tree
2018-01-18
Ma
r
k Ab
r
a
h
am
Port thread-MPI t
o
c
o
m
p
il
e
as C++
commit
|
commitdiff
|
tree
2018-01-16
Mark Abra
h
am
Me
r
ge "Merg
e
r
eleas
e
-201
8
i
n
to ma
s
ter"
commit
|
commitdiff
|
tree
2018-01-11
Mark Abraham
Remove con
t
rib
d
ir
e
c
t
o
r
y
commit
|
commitdiff
|
tree
2018-01-11
Ma
r
k A
b
raham
Bumped v
e
rsion
f
o
r next patch release
commit
|
commitdiff
|
tree
2018-01-11
M
ark Ab
r
aham
V
e
rsion 2018
commit
|
commitdiff
|
tree
2018-01-11
Mark Abraham
Announce in u
s
e
r
log fi
l
es that features are dep
r
e
cated
.
commit
|
commitdiff
|
tree
2018-01-10
Ma
r
k
Abra
h
am
Fix automated GPU ID assignme
n
t
commit
|
commitdiff
|
tree
2018-01-10
Mark Abrah
a
m
Add rel
e
a
se notes
t
o
source repo
commit
|
commitdiff
|
tree
2018-01-10
Mark Abraham
Handle
e
rroneous
c
ommand line args better
commit
|
commitdiff
|
tree
2018-01-09
M
ark Ab
r
aham
Deactivate autos
e
lect
o
f PME on G
P
U
o
n separate rank
commit
|
commitdiff
|
tree
2018-01-09
Ma
r
k Abraham
Clean up u
s
er guide
f
or rele
a
se
commit
|
commitdiff
|
tree
2018-01-09
Mark Abraham
Merg
e
b
r
anch release
-
2016
i
nto re
l
e
ase-2018
commit
|
commitdiff
|
tree
2018-01-05
Mark Abraham
Remove
F
i
ndCU
D
A from
s
ource ta
r
ba
l
l
commit
|
commitdiff
|
tree
2018-01-04
Mark Abraha
m
Merge branch r
e
lease
-
201
8
commit
|
commitdiff
|
tree
2018-01-04
Mark
A
braham
Add
test
config
of G
P
U bu
i
ld on
s
lave
w
i
t
hout GPU
commit
|
commitdiff
|
tree
next