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Version 2018.1
2018-03-21
Mark Ab
r
aham
V
ersio
n
2018
.
1
commit
|
commitdiff
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tree
2018-03-21
Mark
Ab
r
a
ham
Merge "M
e
rge
branch
release-201
6
into release-2018
.
.
.
commit
|
commitdiff
|
tree
2018-03-21
Mark Abraham
Upd
a
te rele
a
s
e
n
o
tes for 2018
.
1
commit
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commitdiff
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tree
2018-03-20
Mark Abra
h
am
Merge branch release
-
2016 into rel
e
ase-2018
commit
|
commitdiff
|
tree
2018-03-20
Mark
A
braham
U
p
d
ate use
of gpu_id in Jenkins
commit
|
commitdiff
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tree
2018-03-20
Mark Abraham
U
pdate use of gpu_id in
Jenkins
commit
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commitdiff
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tree
2018-03-19
Ma
r
k Abraham
Fix VSX S
I
MD with gcc 8
commit
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commitdiff
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tree
2018-03-12
Mark Abraham
Tes
t
gcc-6 and cuda-9
.
0
commit
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commitdiff
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tree
2018-03-06
Ma
r
k Abraham
Fixed dvdl
a
mbda for
S
HA
K
E +
FE
commit
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commitdiff
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tree
2018-02-27
M
a
rk
Abraha
m
Fi
x
GPU utils test
commit
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commitdiff
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tree
2018-02-26
Mark Abraham
Permit define
.
md
p
field to as
s
ign
values
commit
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commitdiff
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tree
2018-02-26
M
ark A
b
rah
a
m
O
r
ganize for
r
ecording
2016-
e
ra rele
a
se note
s
and add
.
.
.
commit
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commitdiff
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tree
2018-02-16
M
a
r
k Abraham
Merge b
r
a
nch
r
e
l
ease-2016
i
n
to release-2018
commit
|
commitdiff
|
tree
2018-02-16
Mark
A
brah
a
m
B
u
mped
pa
t
c
h
ver
s
ion
f
or next release
commit
|
commitdiff
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tree
2018-02-16
Mark
Abraha
m
Versi
o
n 20
1
6
.
5
commit
|
commitdiff
|
tree
2018-02-14
Mark Abrah
a
m
Merge b
r
a
nch re
l
ease-2016 in
t
o relea
s
e-2018
commit
|
commitdiff
|
tree
2018-02-14
M
a
rk Abr
a
ham
Fi
x
b
u
g in
c
heckpoint error c
h
ec
k
i
ng
commit
|
commitdiff
|
tree
2018-02-14
Mark Ab
r
a
ham
Prepa
r
e release notes for 2018
.
1
commit
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commitdiff
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tree
2018-02-13
Mark Abraham
Us
e
d
eath test only when supported
commit
|
commitdiff
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tree
2018-02-08
Mark
A
b
r
aha
m
Use more portable python s
h
ebangs
commit
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commitdiff
|
tree
2018-02-08
Mar
k
Abraham
Merge
"
Merge branch release-2016
i
n
to re
l
ea
s
e-2018
.
.
.
commit
|
commitdiff
|
tree
2018-02-08
Mark Abraham
Merge branch release-2016 into rele
a
se-2018
commit
|
commitdiff
|
tree
2018-02-06
Mar
k
A
b
raha
m
P
revent log file ene
r
gy averag
e
p
r
in
t
i
ng
dividing by
.
.
.
commit
|
commitdiff
|
tree
2018-02-06
M
a
r
k
Abra
h
am
U
se isfinite unambiguously
commit
|
commitdiff
|
tree
2018-01-24
Mark Abraham
Move
W
indows ic
c
conf
i
g
t
o post-submit
t
esting
commit
|
commitdiff
|
tree
2018-01-11
Mar
k
Abraham
B
umped
v
er
s
ion for next p
a
tch re
l
ease
commit
|
commitdiff
|
tree
2018-01-11
Ma
r
k Abraham
Version 2018
commit
|
commitdiff
|
tree
2018-01-11
Mark Abraham
Annou
n
c
e
in user log fi
l
es t
h
at feat
u
r
es are depr
e
cated
.
commit
|
commitdiff
|
tree
2018-01-10
Mark A
b
raham
Fix automated GPU ID assignment
commit
|
commitdiff
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tree
2018-01-10
Mark
Abraham
Add release notes to source re
p
o
commit
|
commitdiff
|
tree
2018-01-10
Mark Abra
h
am
Handle
e
r
r
on
e
ous command line
a
rgs better
commit
|
commitdiff
|
tree
2018-01-09
M
ark Abr
a
ham
De
a
ctivate
aut
o
se
l
ec
t
of PME on GPU
o
n separa
t
e
ra
n
k
commit
|
commitdiff
|
tree
2018-01-09
Mark Abraham
Clean up us
e
r guide
for release
commit
|
commitdiff
|
tree
2018-01-09
Mark Abr
a
ham
Merge
b
r
a
n
ch relea
s
e-2016 into
r
elease-2018
commit
|
commitdiff
|
tree
2018-01-05
Mar
k
Abraham
Remov
e
FindCUDA from source tarball
commit
|
commitdiff
|
tree
2018-01-04
Mark
A
b
raham
Add test config of GPU b
u
ild on slave
witho
u
t GPU
commit
|
commitdiff
|
tree
2018-01-03
Mar
k
Abraham
Fix duplicat
e
warning
commit
|
commitdiff
|
tree
2018-01-02
Mark
Abraham
Fix membed by
c
alling the p
r
o
p
er
mtop finalization
.
.
.
commit
|
commitdiff
|
tree
2017-12-30
Mark Abra
h
am
First
r
elease
c
a
n
didate for ver
s
ion 2018
commit
|
commitdiff
|
tree
2017-12-29
M
ark
A
b
r
a
ham
Separate canDete
c
tG
p
us and f
i
ndGpu
s
futher, and fix
.
.
.
commit
|
commitdiff
|
tree
2017-12-27
Mark
A
braham
Silence
P
O
W
ER8 compi
l
er warning
s
commit
|
commitdiff
|
tree
2017-12-22
Mark
Abraham
Merge
b
ranch r
e
l
ea
s
e-2016 in
t
o
r
elease-2
0
18
commit
|
commitdiff
|
tree
2017-12-21
Mark
A
braham
Merg
e
b
ranch rele
a
se-5-1 into release-20
1
6
commit
|
commitdiff
|
tree
2017-12-21
Mark Abraham
Bump min
o
r version
f
or theore
t
ical new
r
e
l
e
a
se
commit
|
commitdiff
|
tree
2017-12-21
Mark
A
braham
Upda
t
e doubl
e
-precision test configurations
commit
|
commitdiff
|
tree
2017-12-21
Mark
A
b
raham
Version 5
.
1
.
5
commit
|
commitdiff
|
tree
2017-12-20
Mark Abrah
a
m
Use new defaultR
e
alTolera
n
ce(
)
to sta
b
i
lise
some tests
commit
|
commitdiff
|
tree
2017-12-20
Mark Abrah
a
m
Merg
e
"Merge br
a
n
ch release-2016 into release-
2
018
.
.
.
commit
|
commitdiff
|
tree
2017-12-20
M
ark A
b
raham
Me
r
ge
branch
re
l
ease-2016 into release-2018
commit
|
commitdiff
|
tree
2017-12-19
Mar
k
Abra
h
am
Third beta r
e
le
a
se of 201
8
commit
|
commitdiff
|
tree
2017-12-19
Mark Ab
r
aham
F
i
x table test
s
a
nd improve table
c
onstruction
commit
|
commitdiff
|
tree
2017-12-15
M
a
r
k
Abraham
Make OpenCL i
m
pl
e
mentation of gpu_uti
l
s
t
e
sts conform
commit
|
commitdiff
|
tree
2017-12-14
M
a
rk Abraham
Avoid co
n
fusing message
a
t end of non
-
dyn
a
mica
l
r
u
ns
commit
|
commitdiff
|
tree
2017-12-14
Mark Abrah
a
m
Fi
x
r
et
u
rn
v
alue
s
o
f
frame-
r
eading fun
c
tions
commit
|
commitdiff
|
tree
2017-12-14
Mar
k
Abraham
Make AVX
-
512 CMake det
c
tion work
commit
|
commitdiff
|
tree
2017-12-14
Mark A
b
raham
Merge "Merge branch release-2
0
16
i
n
t
o
release-2018
.
.
.
commit
|
commitdiff
|
tree
2017-12-12
Mar
k
Abraham
Improve grompp mi
s
sing-pa
r
ameters
e
rror messa
g
e
commit
|
commitdiff
|
tree
2017-12-12
Mark Abraham
Merge
b
r
a
n
ch release
-
2016 int
o
release-2018
commit
|
commitdiff
|
tree
2017-12-11
Mark A
b
raham
Seco
n
d bet
a
release of
2
018
commit
|
commitdiff
|
tree
2017-12-11
Mark
Abraham
Leave N
V
ML use
off by default
commit
|
commitdiff
|
tree
2017-12-11
Mark A
b
raham
Check for G
P
U det
e
c
t
ion support
before
dete
c
tin
g
commit
|
commitdiff
|
tree
2017-12-11
Mar
k
Abraham
Con
s
ume any error pr
o
d
u
ced dur
i
ng GPU detection
commit
|
commitdiff
|
tree
2017-12-11
Mark Abraham
Avoid sig
n
ed-overflow
w
arning wit
h
gc
c
7
commit
|
commitdiff
|
tree
2017-12-11
Mark
A
bra
h
am
Remov
e
SIMD shift
o
perators
commit
|
commitdiff
|
tree
2017-12-08
Mark
Abr
a
ha
m
R
e
fi
n
e ulp
t
olera
n
ces
f
or some more ewa
l
d test
s
commit
|
commitdiff
|
tree
2017-12-05
Ma
r
k Abraham
F
i
x
mdr
u
n -nb auto -pme auto
when GPUs are absent
commit
|
commitdiff
|
tree
2017-12-05
Mark Abraham
Update te
s
ting to include cmake 3
.
10
.
0
commit
|
commitdiff
|
tree
2017-12-04
Mark Abraham
Fix free
_
gpu
commit
|
commitdiff
|
tree
2017-12-04
Mar
k
A
braham
Fix unused variables in
C
PU pru
n
ing kernels
commit
|
commitdiff
|
tree
2017-12-04
Mark Abraham
Merge bran
c
h rel
e
a
se-201
6
into relea
s
e-2018
commit
|
commitdiff
|
tree
2017-12-03
Mark A
b
raham
Fix fft5d pinni
n
g
commit
|
commitdiff
|
tree
2017-11-28
Mark Abrah
a
m
GROMACS 2018
first beta release
commit
|
commitdiff
|
tree
2017-11-24
M
a
r
k Ab
r
aham
Update
d
e
v
e
loper gu
i
de
commit
|
commitdiff
|
tree
2017-11-24
Mark Abra
h
am
Activate PME on
G
PUs
commit
|
commitdiff
|
tree
2017-11-24
M
a
r
k
Abraham
Se
p
arate
m
anagement
of GPU contexts from mo
d
ules
commit
|
commitdiff
|
tree
2017-11-24
Mark Abraham
Ad
d
P
ME integrati
o
n test
commit
|
commitdiff
|
tree
2017-11-24
M
a
rk Ab
r
aha
m
Extend
t
ask assignment code
commit
|
commitdiff
|
tree
2017-11-21
Mar
k
Abraham
Use mu
c
h le
s
s PaddedR
V
ecVector
a
nd more A
r
ra
y
Ref of
.
.
.
commit
|
commitdiff
|
tree
2017-11-21
Mark Abraham
Sup
p
ort pinnin
g
in HostAl
l
oca
t
or
commit
|
commitdiff
|
tree
2017-11-20
M
ark
A
braha
m
Fi
x
nightly matrix confi
g
commit
|
commitdiff
|
tree
2017-11-19
Mark A
b
raham
Fix FindCUDA
.
cmake for -Wundef
commit
|
commitdiff
|
tree
2017-11-17
Mark Abraham
Use
HostAllocationPolicy fo
r
c
h
a
r
g
eA
commit
|
commitdiff
|
tree
2017-11-17
Mark Abraham
A
d
d
checkin
g
function for whether a buffer is pinned
commit
|
commitdiff
|
tree
2017-11-17
M
a
rk Abraha
m
I
mprov
e
h
a
ndling of PME GPU force
b
uffer
commit
|
commitdiff
|
tree
2017-11-10
Mark Abraha
m
I
mport cmake Modules/F
i
ndCUDA
.
cm
a
ke
commit
|
commitdiff
|
tree
2017-11-09
Mark Abraham
P
repare
d
t_mdatoms for using vector
commit
|
commitdiff
|
tree
2017-11-09
Mark Abr
a
ham
Introduce
HostAllocationPol
i
cy
commit
|
commitdiff
|
tree
2017-11-07
M
ark
A
braham
Reform gmx_
p
me_pp
alloc and use vector
commit
|
commitdiff
|
tree
2017-11-07
Mark Abrah
a
m
Introduce gmxo
p
encl
.
h
commit
|
commitdiff
|
tree
2017-11-07
Mark Ab
r
aham
Te
s
t cla
n
g on ARM in nigh
t
l
y mat
r
ix
commit
|
commitdiff
|
tree
2017-11-07
Mark
Ab
r
aham
Impr
o
ve PME includes
commit
|
commitdiff
|
tree
2017-11-03
Mark Abr
a
ham
M
erge "Merge
bra
n
ch re
l
e
a
se-2016"
commit
|
commitdiff
|
tree
2017-11-02
Mark Abr
a
ham
Me
r
ge br
a
nch rele
a
se-2016
commit
|
commitdiff
|
tree
2017-11-01
Mar
k
Abraham
Fix thread-MPI r
a
nk
choice for
o
r
ie
n
t
ation restraints
commit
|
commitdiff
|
tree
2017-11-01
Mark Abrah
a
m
Improve
h
a
nd
l
ing
o
f GPU
I
Ds
commit
|
commitdiff
|
tree
2017-10-31
Mark Abraham
Update tr
e
atment of GPU c
o
mpatibilit
y
data
struc
t
u
r
e
commit
|
commitdiff
|
tree
2017-10-30
Ma
r
k Abra
h
am
F
i
x and updat
e
hw_info
commit
|
commitdiff
|
tree
2017-10-27
Mark Abraham
F
i
x hw detection mor
e
commit
|
commitdiff
|
tree
2017-10-26
M
ark
Abraham
Make
release
m
a
trix
w
ork
again
commit
|
commitdiff
|
tree
2017-10-26
Mark Abraham
New
quote
commit
|
commitdiff
|
tree
next