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Merge "Merge branch release-2016 into release-2018" into release-2018
2018-03-21
Mar
k
Abraham
Merge
"Merge
b
r
anch release-2016 int
o
release-20
1
8
.
.
.
commit
|
commitdiff
|
tree
2018-03-21
Mark
Abrah
a
m
Update rele
a
se notes
for 2018
.
1
commit
|
commitdiff
|
tree
2018-03-20
Mark Abraham
Mer
g
e bra
n
ch release-2
0
16
into release-2
0
18
commit
|
commitdiff
|
tree
2018-03-20
Mark A
b
raham
Up
d
ate u
s
e of gpu
_
i
d
in J
e
n
k
ins
commit
|
commitdiff
|
tree
2018-03-20
Mark
Abraham
Update use of gpu_id
in
Jenkins
commit
|
commitdiff
|
tree
2018-03-19
Mark A
b
raham
F
ix VSX SIMD with
gc
c
8
commit
|
commitdiff
|
tree
2018-03-12
M
ark Abr
a
ham
Test gcc-6 a
n
d
c
uda-9
.
0
commit
|
commitdiff
|
tree
2018-03-06
Mark Abrah
a
m
Fixed dvdlambda
f
or SHAKE + F
E
commit
|
commitdiff
|
tree
2018-02-27
Ma
r
k Abraham
Fix GPU utils test
commit
|
commitdiff
|
tree
2018-02-26
Mark Abr
a
ham
Permit define
.
m
dp field to a
s
si
g
n
values
commit
|
commitdiff
|
tree
2018-02-26
M
a
rk Abraha
m
Organize for
r
e
c
o
rding 20
1
6-era release n
o
t
es
and
add
.
.
.
commit
|
commitdiff
|
tree
2018-02-16
Mar
k
Abraham
Merge branch releas
e
-2016 into r
e
l
e
a
s
e
-
2018
commit
|
commitdiff
|
tree
2018-02-16
Mark
A
b
raham
Bum
p
ed patch
version
f
or next release
commit
|
commitdiff
|
tree
2018-02-16
Mark Abraham
Versio
n
2
0
16
.
5
commit
|
commitdiff
|
tree
2018-02-14
Mar
k
Abrah
a
m
Merge branch
release-20
1
6
into
release-2018
commit
|
commitdiff
|
tree
2018-02-14
Ma
r
k Ab
r
aham
Fix bu
g
in check
p
oint erro
r
c
hecking
commit
|
commitdiff
|
tree
2018-02-14
Mar
k
Abraham
Prep
a
r
e
release notes for 2018
.
1
commit
|
commitdiff
|
tree
2018-02-13
Mar
k
Abraham
Use death test
o
nly
w
hen s
u
pported
commit
|
commitdiff
|
tree
2018-02-08
Mar
k
Ab
r
aham
Use
more por
t
able pyth
o
n shebangs
commit
|
commitdiff
|
tree
2018-02-08
M
ark Abraham
M
e
rge "Merge branch release-201
6
i
n
to release-2018
.
.
.
commit
|
commitdiff
|
tree
2018-02-08
Mar
k
Ab
r
aham
Merge branch rele
a
se-2016
i
n
to release-2018
commit
|
commitdiff
|
tree
2018-02-06
Mark Abraha
m
Pre
v
e
nt
log file energy average printing
d
ividing b
y
.
.
.
commit
|
commitdiff
|
tree
2018-02-06
Mark Abra
h
am
U
se isfi
n
ite unambiguously
commit
|
commitdiff
|
tree
2018-01-24
Mark Ab
r
aham
Move Windo
w
s ic
c
con
f
i
g
to post-submit t
e
sting
commit
|
commitdiff
|
tree
2018-01-11
Mark Ab
r
aham
Bumped version for
n
ext
patch release
commit
|
commitdiff
|
tree
2018-01-11
Mark Abraham
V
ersion 2018
commit
|
commitdiff
|
tree
2018-01-11
Mark Abrah
a
m
Announce in user log files th
a
t features are deprecated
.
commit
|
commitdiff
|
tree
2018-01-10
Ma
r
k Abraham
Fi
x
automated GPU ID assignmen
t
commit
|
commitdiff
|
tree
2018-01-10
Mark
Ab
r
aha
m
Ad
d
r
e
le
a
s
e notes to source rep
o
commit
|
commitdiff
|
tree
2018-01-10
Mark
Abraham
H
a
ndle
e
rroneous
c
omm
a
nd
line args bet
t
er
commit
|
commitdiff
|
tree
2018-01-09
Mark Abrah
a
m
Dea
c
tivat
e
autos
e
l
e
c
t of PME on
G
PU on separat
e
rank
commit
|
commitdiff
|
tree
2018-01-09
Mark Abraham
Clean u
p
user guide fo
r
release
commit
|
commitdiff
|
tree
2018-01-09
M
a
rk Abraham
Merge br
a
nch
rel
e
as
e
-2
0
16 in
t
o release-2018
commit
|
commitdiff
|
tree
2018-01-05
M
a
rk Abraham
Remove
F
indCUDA from
source ta
r
b
all
commit
|
commitdiff
|
tree
2018-01-04
Mark Abraham
Add test
c
onfig o
f
GPU build on slave without GPU
commit
|
commitdiff
|
tree
2018-01-03
Mark Abr
a
ham
Fix
d
uplicate
w
arning
commit
|
commitdiff
|
tree
2018-01-02
Mark Abraham
Fix
membed by calling the prop
e
r
m
top fina
l
ization
.
.
.
commit
|
commitdiff
|
tree
2017-12-30
Mark Ab
r
aham
First release c
a
nd
i
date for version
2
018
commit
|
commitdiff
|
tree
2017-12-29
Mark Abraham
Separate canDetectGpus and
f
i
ndGpus fut
h
er, and fix
.
.
.
commit
|
commitdiff
|
tree
2017-12-27
Mark
Ab
r
aham
S
i
l
e
nc
e
P
O
WER8 compiler
wa
r
nings
commit
|
commitdiff
|
tree
2017-12-22
Mark Abraham
Merge bra
n
ch
r
ele
a
s
e
-20
1
6 into rele
a
se-2018
commit
|
commitdiff
|
tree
2017-12-21
Mark Abraham
Me
r
ge b
r
an
c
h release
-
5-1 in
t
o rele
a
se-20
1
6
commit
|
commitdiff
|
tree
2017-12-21
Ma
r
k
Abraha
m
Bump mi
n
or versio
n
f
or
t
heor
e
tical new
r
e
lease
commit
|
commitdiff
|
tree
2017-12-21
Mark
Abraham
Update do
u
b
le-precision test config
u
rations
commit
|
commitdiff
|
tree
2017-12-21
Mark Abraham
V
ersion 5
.
1
.
5
commit
|
commitdiff
|
tree
2017-12-20
Mark Ab
r
a
ham
Use
n
ew de
f
aultRealToleranc
e
() to st
a
b
i
lise some tests
commit
|
commitdiff
|
tree
2017-12-20
Mark Abraham
Merge
"
Merge branch release-2
0
1
6
into
re
l
ea
s
e-2018
.
.
.
commit
|
commitdiff
|
tree
2017-12-20
Mar
k
A
braha
m
Merge branch r
e
le
a
se-201
6
in
t
o release
-
2018
commit
|
commitdiff
|
tree
2017-12-19
Mark A
b
raha
m
Third be
t
a
r
elease of 2018
commit
|
commitdiff
|
tree
2017-12-19
Mar
k
Abraham
F
ix table te
s
ts and impro
v
e
tab
l
e cons
t
r
u
c
tion
commit
|
commitdiff
|
tree
2017-12-15
Mark Abrah
a
m
Ma
k
e OpenCL im
p
l
e
mentatio
n
of gpu_utils test
s
conform
commit
|
commitdiff
|
tree
2017-12-14
M
a
rk
Abrah
a
m
Avoid confusing message at en
d
of non-dynamical runs
commit
|
commitdiff
|
tree
2017-12-14
Mark Abraham
Fix return values
of frame-read
i
ng functions
commit
|
commitdiff
|
tree
2017-12-14
Mark A
b
raham
M
ake AVX-51
2
C
M
ake detcti
o
n work
commit
|
commitdiff
|
tree
2017-12-14
M
a
rk Ab
r
a
ham
Merge
"Me
r
ge br
a
nch re
l
ease-2016 into release-2018
.
.
.
commit
|
commitdiff
|
tree
2017-12-12
Mark Abraham
Im
p
r
ov
e
grompp mi
s
sing-par
a
meters error me
s
sage
commit
|
commitdiff
|
tree
2017-12-12
M
a
rk Abraham
Merge branch r
e
lease-2016
i
n
to rele
a
se-
2
018
commit
|
commitdiff
|
tree
2017-12-11
Mark Abraham
Second beta
r
el
e
a
s
e
of
2018
commit
|
commitdiff
|
tree
2017-12-11
Mar
k
A
braham
L
e
ave NVML
use off by default
commit
|
commitdiff
|
tree
2017-12-11
Mark
Abraham
Che
c
k fo
r
GPU
d
etection support before detecting
commit
|
commitdiff
|
tree
2017-12-11
Mark Abraha
m
Co
n
sume an
y
e
r
ror produ
c
e
d during GPU detection
commit
|
commitdiff
|
tree
2017-12-11
Ma
r
k Abraham
Avoid
s
igned-overflow warning with gcc 7
commit
|
commitdiff
|
tree
2017-12-11
Ma
r
k Abraham
Remove SIMD
shift operato
r
s
commit
|
commitdiff
|
tree
2017-12-08
Mark A
b
raham
Refine ulp toleranc
e
s for some more ewald te
s
ts
commit
|
commitdiff
|
tree
2017-12-05
M
ark Abraham
Fix m
d
run -
n
b
auto
-pme
auto when GPUs
a
r
e
ab
s
ent
commit
|
commitdiff
|
tree
2017-12-05
Ma
r
k A
b
r
a
ham
Update t
e
sting to include cmake 3
.
10
.
0
commit
|
commitdiff
|
tree
2017-12-04
Mark Abr
a
h
am
F
ix free_gpu
commit
|
commitdiff
|
tree
2017-12-04
Mark Abraham
Fix unused v
a
riabl
e
s in CPU
pruning kernels
commit
|
commitdiff
|
tree
2017-12-04
Ma
r
k Abraham
Merge branch relea
s
e-2016 into release-2018
commit
|
commitdiff
|
tree
2017-12-03
Ma
r
k Abraham
F
ix fft5d pinning
commit
|
commitdiff
|
tree
2017-11-28
Mark Abraham
G
ROMACS 2018 fi
r
st beta
re
l
ease
commit
|
commitdiff
|
tree
2017-11-24
Mark Abr
a
h
a
m
Update developer guide
commit
|
commitdiff
|
tree
2017-11-24
M
a
rk Abra
h
am
A
ctivate PME o
n
GPUs
commit
|
commitdiff
|
tree
2017-11-24
Mar
k
Abrah
a
m
Sepa
r
a
t
e
management of G
P
U c
o
ntexts fr
o
m modules
commit
|
commitdiff
|
tree
2017-11-24
Ma
r
k Abraha
m
A
dd PME integrat
i
on test
commit
|
commitdiff
|
tree
2017-11-24
Ma
r
k
A
braham
Ex
t
end task assignment code
commit
|
commitdiff
|
tree
2017-11-21
Mark A
b
ra
h
am
Use
m
uch le
s
s PaddedRVecVector an
d
more
A
rrayRef of
.
.
.
commit
|
commitdiff
|
tree
2017-11-21
Mark Abraham
Suppo
r
t pinning in HostAllocator
commit
|
commitdiff
|
tree
2017-11-20
Mark A
b
r
aham
Fix nightly m
a
tri
x
confi
g
commit
|
commitdiff
|
tree
2017-11-19
Mark Abraham
F
i
x FindCUD
A
.
cmake
f
or -Wun
d
ef
commit
|
commitdiff
|
tree
2017-11-17
Mark
Abraham
Use HostAl
l
ocationPo
l
ic
y
for c
h
argeA
commit
|
commitdiff
|
tree
2017-11-17
Mark Abraham
Add checking fu
n
ction
f
or
w
h
ether a buffer i
s
pinned
commit
|
commitdiff
|
tree
2017-11-17
Mark Abraha
m
Improve hand
l
i
n
g of PME GPU
force buffer
commit
|
commitdiff
|
tree
2017-11-10
Mark
Abraham
Impor
t
c
m
a
k
e Mo
d
ules
/
F
i
n
d
CUDA
.
c
m
ak
e
commit
|
commitdiff
|
tree
2017-11-09
Mark Abraham
Prep
a
red t_mdatoms for u
s
ing vector
commit
|
commitdiff
|
tree
2017-11-09
Mark Abra
h
am
Introduce HostAllocationPolicy
commit
|
commitdiff
|
tree
2017-11-07
Mark Ab
r
a
h
a
m
R
eform gmx_pme_p
p
alloc and
use vector
commit
|
commitdiff
|
tree
2017-11-07
Mark Abra
h
am
Int
r
odu
c
e gmxopencl
.
h
commit
|
commitdiff
|
tree
2017-11-07
Mark Abraham
Test clang on
A
RM
in nightly matrix
commit
|
commitdiff
|
tree
2017-11-07
M
a
rk Abraham
Improve PME incl
u
d
e
s
commit
|
commitdiff
|
tree
2017-11-03
Ma
r
k Abraham
Merge "Merge branch rel
e
ase-201
6
"
commit
|
commitdiff
|
tree
2017-11-02
Ma
r
k
A
brah
a
m
Merg
e
branch release-201
6
commit
|
commitdiff
|
tree
2017-11-01
M
a
rk
A
braham
Fix thread-MPI ran
k
cho
i
ce for
o
r
ientation restra
i
nt
s
commit
|
commitdiff
|
tree
2017-11-01
Mark Abra
h
am
Impr
o
ve hand
l
ing of
G
P
U
IDs
commit
|
commitdiff
|
tree
2017-10-31
Mark Abraham
U
p
date treatment
of GP
U
compatibili
t
y data structure
commit
|
commitdiff
|
tree
2017-10-30
Mark Abra
h
am
Fix
and update hw_info
commit
|
commitdiff
|
tree
2017-10-27
M
ar
k
Abraha
m
Fix
h
w
dete
c
t
ion more
commit
|
commitdiff
|
tree
2017-10-26
Ma
r
k Abraha
m
Ma
k
e release matrix work again
commit
|
commitdiff
|
tree
2017-10-26
Mark Abra
h
am
New
quote
commit
|
commitdiff
|
tree
2017-10-25
Ma
r
k Ab
r
aham
Teach
t
he copy
r
i
ght checker
a
b
out template
.
cpp
commit
|
commitdiff
|
tree
next