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Remove cycle suppression
2018-02-19
Mark Abr
a
h
a
m
R
e
move
cycle sup
p
ress
i
on
commit
|
commitdiff
|
tree
2018-02-19
M
a
rk Abraham
Di
s
a
llowed change
of en
s
emble for checkpoint restart
commit
|
commitdiff
|
tree
2018-02-16
Mar
k
Abr
a
ham
M
erge branch release-2018 into master
commit
|
commitdiff
|
tree
2018-02-15
Mark Abraham
U
se
struct for che
c
kpoint head
e
r contents
commit
|
commitdiff
|
tree
2018-02-14
Mar
k
Abra
h
am
Re
m
ove read_checkpoint_state
commit
|
commitdiff
|
tree
2018-02-14
Mar
k
A
b
raham
Use std:
:
vector for ch
e
ckpoint outputf
i
les
commit
|
commitdiff
|
tree
2018-02-14
Mark A
b
r
a
ham
Merg
e
branc
h
r
ele
a
se-2016 into re
l
ease-2018
commit
|
commitdiff
|
tree
2018-02-14
Mark Abraham
Fix b
u
g in che
c
kpoint error checking
commit
|
commitdiff
|
tree
2018-02-14
Mark A
b
raham
Prepare release notes
f
or 2018
.
1
commit
|
commitdiff
|
tree
2018-02-13
Ma
r
k Abraham
U
s
e
death test only
w
hen suppo
r
ted
commit
|
commitdiff
|
tree
2018-02-13
Mark Abraham
Separate mult
i
sim from commrec
commit
|
commitdiff
|
tree
2018-02-12
M
a
r
k Abraham
R
e
mov
e
c
ommrec from hardware detection
commit
|
commitdiff
|
tree
2018-02-12
Mark A
b
r
a
ham
Analys
e
threads on node before setting affinit
i
es
commit
|
commitdiff
|
tree
2018-02-12
Mark
Abraham
Fix readi
n
g
o
ld force
field files
commit
|
commitdiff
|
tree
2018-02-09
Mark Abraham
Merge bra
n
ch release-2018
commit
|
commitdiff
|
tree
2018-02-08
Mar
k
A
br
a
ham
U
s
e
more portable
p
ython s
h
ebangs
commit
|
commitdiff
|
tree
2018-02-08
M
ark Abraha
m
Merge "Merg
e
b
ranch
release-2016 into release
-
2018
.
.
.
commit
|
commitdiff
|
tree
2018-02-08
Mark Abraham
Merge
b
ranc
h
r
e
leas
e
-201
6
i
nto
release-2018
commit
|
commitdiff
|
tree
2018-02-08
Ma
r
k
A
bra
h
am
Merge
"Me
r
ge
b
ranch 'release-20
1
8'
i
n
t
o
ma
s
t
er"
commit
|
commitdiff
|
tree
2018-02-06
Mark Abraham
Prevent log f
i
le ene
r
gy average p
r
in
t
i
n
g
dividing by
.
.
.
commit
|
commitdiff
|
tree
2018-02-06
Mark Ab
r
aham
Use isfinite unambiguously
commit
|
commitdiff
|
tree
2018-01-30
M
a
rk
Abrah
a
m
Replace macros fo
r
multi-sim
commit
|
commitdiff
|
tree
2018-01-30
M
ark Ab
r
aham
U
p
d
ate Go
o
gleTe
s
t to 1
.
8
.
0
commit
|
commitdiff
|
tree
2018-01-27
Mark Abraham
Remove unused
d
eclaratio
n
commit
|
commitdiff
|
tree
2018-01-25
Mark
Abraham
Remov
e
unused
f
ields of t_comm
r
ec
commit
|
commitdiff
|
tree
2018-01-25
Mar
k
Abra
h
am
Redu
c
ed incl
u
des of common h
e
aders in heade
r
s
commit
|
commitdiff
|
tree
2018-01-25
Mark Abraham
Rem
o
ve
d
mdru
n
-m
u
lti
commit
|
commitdiff
|
tree
2018-01-24
Mark
A
br
a
ham
Change multi-sim tests to use -multidir
commit
|
commitdiff
|
tree
2018-01-24
Mark Abraham
R
e
move gmx_inline
commit
|
commitdiff
|
tree
2018-01-24
Mark
Abraham
T
each include sort
e
r
t
o ignore cma
k
e-test fil
e
s
commit
|
commitdiff
|
tree
2018-01-24
Mark Ab
r
aham
Move Windows icc con
f
ig t
o
p
ost-sub
m
i
t tes
t
ing
commit
|
commitdiff
|
tree
2018-01-24
Mark Abrah
a
m
Rep
l
ace gm
x
_bool with bool in bit
m
a
sk
f
unctions
commit
|
commitdiff
|
tree
2018-01-23
M
a
rk Abraham
Remove
support for implicit solvation
commit
|
commitdiff
|
tree
2018-01-23
Mark Ab
r
a
ham
Remove topol
o
gy s
u
p
port for i
m
plicit
s
o
l
v
atio
n
commit
|
commitdiff
|
tree
2018-01-23
Ma
r
k Abra
h
am
Prelimina
r
y c
l
eanup before removing
i
fdef
c
plusplus
commit
|
commitdiff
|
tree
2018-01-19
Mark Abra
h
am
M
erge "Merge branch 'r
e
l
ease-2018
'
into maste
r
"
commit
|
commitdiff
|
tree
2018-01-19
Mark Abraham
Ad
d
d
e
v-guide do
c
s fo
r
automatic
u
pdate
o
f regressiontests
commit
|
commitdiff
|
tree
2018-01-19
Mar
k
Abraham
Fixes for is
s
u
es found
b
y cla
n
g 6
commit
|
commitdiff
|
tree
2018-01-18
Mark Ab
r
aham
Bump version num
b
ers f
o
r 2019 developme
n
t
commit
|
commitdiff
|
tree
2018-01-18
Mark Abraham
R
emove support for BlueGene
commit
|
commitdiff
|
tree
2018-01-18
Mark Abraham
Po
r
t thread-
M
PI to compile as C
+
+
commit
|
commitdiff
|
tree
2018-01-16
Ma
r
k Abraham
M
e
r
ge "Merge release-2018 into master"
commit
|
commitdiff
|
tree
2018-01-11
Mark Abraham
R
e
move
co
n
t
r
ib
dire
c
t
o
ry
commit
|
commitdiff
|
tree
2018-01-11
Mark Abraham
Bumped version for next patch releas
e
commit
|
commitdiff
|
tree
2018-01-11
Mark Abra
h
a
m
V
ersion 2018
commit
|
commitdiff
|
tree
2018-01-11
Ma
r
k
Abraha
m
Announce in user log fil
e
s t
h
at
f
eatur
e
s are deprecat
e
d
.
commit
|
commitdiff
|
tree
2018-01-10
Mark Abraham
Fix automated GP
U
I
D
a
s
signment
commit
|
commitdiff
|
tree
2018-01-10
Mark A
b
r
a
h
am
Add re
l
e
ase notes
to source
r
epo
commit
|
commitdiff
|
tree
2018-01-10
Mark Abraham
H
an
d
le erroneous comman
d
line args better
commit
|
commitdiff
|
tree
2018-01-09
Mark Abraham
De
a
c
tivate autoselect of P
M
E on GPU on separate ran
k
commit
|
commitdiff
|
tree
2018-01-09
Ma
r
k
A
brah
a
m
C
l
ean up user guide for
r
elease
commit
|
commitdiff
|
tree
2018-01-09
Mark Abraham
Merge
b
ranch rel
e
ase-2016 into relea
s
e-2018
commit
|
commitdiff
|
tree
2018-01-05
M
a
rk
A
brah
a
m
Remov
e
FindCUDA from source tarba
l
l
commit
|
commitdiff
|
tree
2018-01-04
Mark Abraham
Merge branc
h
re
l
ease-20
1
8
commit
|
commitdiff
|
tree
2018-01-04
M
ark Abra
h
am
Add test config of GPU bu
i
ld on slave without GP
U
commit
|
commitdiff
|
tree
2018-01-03
Mark Ab
r
aham
Add cool
q
uo
t
e
commit
|
commitdiff
|
tree
2018-01-03
Mar
k
A
b
r
a
h
am
Fix duplic
a
te warnin
g
commit
|
commitdiff
|
tree
2018-01-02
Mark
A
braham
Fix
membed by
c
alling the proper mtop final
i
zati
o
n
.
.
.
commit
|
commitdiff
|
tree
2017-12-30
Mark Abraham
First relea
s
e c
a
ndidate for version 201
8
commit
|
commitdiff
|
tree
2017-12-29
M
a
r
k
A
braham
Separate canD
e
tectGpus a
n
d fin
d
G
p
u
s futher, and fix
.
.
.
commit
|
commitdiff
|
tree
2017-12-27
Mark Abraham
S
i
le
n
ce POWER
8
compiler warnings
commit
|
commitdiff
|
tree
2017-12-22
Mark Abraham
M
erge bra
n
ch re
l
e
ase-2016
i
n
t
o
release-20
1
8
commit
|
commitdiff
|
tree
2017-12-21
Mar
k
A
brah
a
m
Merge branc
h
relea
s
e-5
-
1 i
n
to re
l
e
a
se-20
1
6
commit
|
commitdiff
|
tree
2017-12-21
Mark Ab
r
aham
Bump minor version
f
or the
o
retical new rel
e
ase
commit
|
commitdiff
|
tree
2017-12-21
Mark
Ab
r
aham
U
p
date
d
ouble-preci
s
i
o
n test configurations
commit
|
commitdiff
|
tree
2017-12-21
Mark Abraham
Version 5
.
1
.
5
commit
|
commitdiff
|
tree
2017-12-20
Mark
A
braham
U
s
e new defa
u
ltReal
T
oleran
c
e()
to
sta
b
i
lise some test
s
commit
|
commitdiff
|
tree
2017-12-20
M
a
rk Ab
r
aha
m
Merge "Merg
e
branch r
e
le
a
se-2016 into release-2018
.
.
.
commit
|
commitdiff
|
tree
2017-12-20
Mark Abrah
a
m
M
erge b
r
anch r
e
lease-2016 into rele
a
s
e
-
2018
commit
|
commitdiff
|
tree
2017-12-19
Mark Abraham
Third
b
et
a
rele
a
se o
f
2
018
commit
|
commitdiff
|
tree
2017-12-19
Mark Abraham
Fix ta
b
le tests
a
nd improve table co
n
struction
commit
|
commitdiff
|
tree
2017-12-15
M
ark A
b
raham
Make Op
e
nCL implementation of gpu_utils tests conform
commit
|
commitdiff
|
tree
2017-12-14
M
a
rk Abraham
Avoid confusin
g
mess
a
ge at e
n
d of non-dynamical runs
commit
|
commitdiff
|
tree
2017-12-14
Mark Abraham
F
i
x return val
u
es of frame-reading
functions
commit
|
commitdiff
|
tree
2017-12-14
Ma
r
k Abraham
Make
A
VX-51
2
CMake detction work
commit
|
commitdiff
|
tree
2017-12-14
Ma
r
k Abraham
Me
r
ge "Mer
g
e branch release-2016 into re
l
e
ase-2018
.
.
.
commit
|
commitdiff
|
tree
2017-12-12
Mark Abraham
Improve
g
rompp
missing
-
paramete
r
s erro
r
message
commit
|
commitdiff
|
tree
2017-12-12
M
a
r
k Abra
h
am
Merge branch release-201
6
into relea
s
e-
2
018
commit
|
commitdiff
|
tree
2017-12-11
Mark
A
b
raha
m
Second beta releas
e
of 2018
commit
|
commitdiff
|
tree
2017-12-11
Mark
Abraham
L
e
ave NVML us
e
off by
default
commit
|
commitdiff
|
tree
2017-12-11
Mark
Abraham
Check
f
or GPU de
t
ecti
o
n support befo
r
e
detecting
commit
|
commitdiff
|
tree
2017-12-11
Mark Abr
a
ham
Consu
m
e any error produc
e
d during GPU det
e
cti
o
n
commit
|
commitdiff
|
tree
2017-12-11
Mar
k
Abraham
Avo
i
d
s
igned-overflow w
a
rning with g
c
c 7
commit
|
commitdiff
|
tree
2017-12-11
Mark Abraham
Remove SIMD sh
i
ft oper
a
t
o
rs
commit
|
commitdiff
|
tree
2017-12-08
Mark Abraham
R
efine ulp to
l
eran
c
es for s
o
me more ewald te
s
ts
commit
|
commitdiff
|
tree
2017-12-05
Mark Ab
r
aham
Fix mdr
u
n -nb auto -p
m
e auto when G
P
Us are absent
commit
|
commitdiff
|
tree
2017-12-05
Mark Abraham
Upd
a
te
tes
t
ing to include
c
make 3
.
10
.
0
commit
|
commitdiff
|
tree
2017-12-04
Mark Abrah
a
m
Fix free_gpu
commit
|
commitdiff
|
tree
2017-12-04
Mark Abraham
F
ix unuse
d
variables in CPU pruning kernels
commit
|
commitdiff
|
tree
2017-12-04
Mark A
b
raham
Mer
g
e branch
r
elease-2016 in
t
o
release-2
0
18
commit
|
commitdiff
|
tree
2017-12-03
Mark Abraham
Fix fft5d pinning
commit
|
commitdiff
|
tree
2017-11-28
Mark Ab
r
aham
GROMACS 2
0
18
f
irst beta release
commit
|
commitdiff
|
tree
2017-11-24
Mark Abr
a
ham
Update
developer guide
commit
|
commitdiff
|
tree
2017-11-24
Mark
Abraha
m
A
ctivate PM
E
on
G
PU
s
commit
|
commitdiff
|
tree
2017-11-24
Mark Abra
h
am
Separate manage
m
ent of
GPU contex
t
s from modules
commit
|
commitdiff
|
tree
2017-11-24
Ma
r
k
Abraham
Add PME integra
t
i
o
n te
s
t
commit
|
commitdiff
|
tree
2017-11-24
Mark Abraham
Extend task assignment code
commit
|
commitdiff
|
tree
2017-11-21
Mark
A
braham
U
s
e much less Padde
d
RVe
c
V
e
c
t
or an
d
m
o
re ArrayRef of
.
.
.
commit
|
commitdiff
|
tree
2017-11-21
Ma
r
k Abraham
Supp
o
rt pinning in HostAllo
c
a
tor
commit
|
commitdiff
|
tree
2017-11-20
M
a
r
k Abra
h
am
Fix n
i
ghtly matri
x
c
on
f
ig
commit
|
commitdiff
|
tree
next