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Version 2018.2
2018-06-14
Mar
k
Abr
a
ha
m
Version 2
0
18
.
2
commit
|
commitdiff
|
tree
2018-06-13
Mark Abra
h
am
Fi
x
prem
a
tu
r
e reporting
of action w
h
e
n
GP
U
s
are n
o
t
.
.
.
commit
|
commitdiff
|
tree
2018-06-13
Mark Ab
r
aham
Up
d
ate top-level README
commit
|
commitdiff
|
tree
2018-06-13
Mark Ab
r
a
h
a
m
Fixed document
a
tion
t
ypo
commit
|
commitdiff
|
tree
2018-06-12
Mark Abraham
More
fixes to suit gcc 8 f
o
r doubl
e
build
commit
|
commitdiff
|
tree
2018-06-05
Mark Abraham
Fixed
enem
a
t
w
hen
.
edr ha
d
n
o matching ener
g
y grou
p
s
commit
|
commitdiff
|
tree
2018-06-05
Mark Abraham
Improved docs for g
m
x mindis
t
-pi
commit
|
commitdiff
|
tree
2018-04-03
Mark A
b
ra
h
am
Remove le
f
t
o
ver mention o
f
t
w
in-range scheme
commit
|
commitdiff
|
tree
2018-03-27
Mark Abraham
Cla
r
i
f
ied mdp o
p
ti
o
n
s rela
t
ing to bonds
commit
|
commitdiff
|
tree
2018-03-27
Mark
Abraham
More gcc-8
f
ixes for POWER
commit
|
commitdiff
|
tree
2018-03-22
Mark Ab
r
aham
Updated to prepare
f
or 2018
.
2
release
commit
|
commitdiff
|
tree
2018-03-21
Ma
r
k Abraham
Version
2018
.
1
commit
|
commitdiff
|
tree
2018-03-21
Mark
A
brah
a
m
Merge "
M
erge branch release-2016 into
relea
s
e-2018
.
.
.
commit
|
commitdiff
|
tree
2018-03-21
Mark Abraham
U
p
date relea
s
e
n
otes for 2018
.
1
commit
|
commitdiff
|
tree
2018-03-20
Mark Abraham
Mer
g
e br
a
nch re
l
e
ase-2016 into r
e
lease-2018
commit
|
commitdiff
|
tree
2018-03-20
Mark Abraham
Update use of gpu_id in Jenkins
commit
|
commitdiff
|
tree
2018-03-20
Mark Abrah
a
m
Update use of gpu_id in Jenkin
s
commit
|
commitdiff
|
tree
2018-03-19
Mar
k
A
braha
m
Fix VSX SIMD
with gcc 8
commit
|
commitdiff
|
tree
2018-03-12
M
ark Abraham
Test
gcc-6 and c
u
da-9
.
0
commit
|
commitdiff
|
tree
2018-03-06
Mark
Abra
h
a
m
F
i
x
ed
dvdlambda fo
r
S
H
AKE + FE
commit
|
commitdiff
|
tree
2018-02-27
Mark Abraham
Fix G
P
U uti
l
s test
commit
|
commitdiff
|
tree
2018-02-26
Ma
r
k Abraham
Permi
t
define
.
m
d
p
f
ield to
a
ssign
v
a
l
ues
commit
|
commitdiff
|
tree
2018-02-26
M
ark Abraham
Organize for rec
o
rding 2016-era release notes and add
.
.
.
commit
|
commitdiff
|
tree
2018-02-16
Mark Abr
a
ham
Merge br
a
nch rele
a
se-201
6
into release
-
20
1
8
commit
|
commitdiff
|
tree
2018-02-16
M
a
rk Abraham
Bumped pa
t
ch version for next r
e
lease
commit
|
commitdiff
|
tree
2018-02-16
M
ark Abra
h
a
m
Vers
i
on 201
6
.
5
commit
|
commitdiff
|
tree
2018-02-14
Mar
k
Abraham
Merge
b
ranch release-2016 into release-
2
018
commit
|
commitdiff
|
tree
2018-02-14
Mark Abraham
F
i
x bug in checkpoint erro
r
che
c
king
commit
|
commitdiff
|
tree
2018-02-14
Mark Abrah
a
m
Prepare release notes for 2018
.
1
commit
|
commitdiff
|
tree
2018-02-13
Mark Abraham
Use death
test o
n
l
y
w
h
en suppor
t
ed
commit
|
commitdiff
|
tree
2018-02-08
Mar
k
Abraham
Use
m
ore portable python shebangs
commit
|
commitdiff
|
tree
2018-02-08
Mark Ab
r
aham
Merge
"Merge
branch release-20
1
6
i
nto rel
e
ase-
2
018
.
.
.
commit
|
commitdiff
|
tree
2018-02-08
Ma
r
k Abraha
m
Merge branc
h
rel
e
as
e
-2016 into rele
a
s
e
-
20
1
8
commit
|
commitdiff
|
tree
2018-02-06
Mark Abraham
P
reve
n
t log file energy a
v
erage printing dividing by
.
.
.
commit
|
commitdiff
|
tree
2018-02-06
Mar
k
Abra
h
am
Use isfinite unambiguo
u
s
l
y
commit
|
commitdiff
|
tree
2018-01-24
Mark Abraha
m
Mov
e
Windows
icc conf
i
g to post-submit
t
es
t
i
n
g
commit
|
commitdiff
|
tree
2018-01-11
Mark Ab
r
aham
Bumped version for
n
ext pat
c
h rele
a
se
commit
|
commitdiff
|
tree
2018-01-11
Mark Abraham
Versi
o
n 20
1
8
commit
|
commitdiff
|
tree
2018-01-11
M
ark A
b
raham
A
nnounce in user
log files th
a
t
f
eatures are deprecat
e
d
.
commit
|
commitdiff
|
tree
2018-01-10
Mark Abraham
Fi
x
automated G
P
U
ID assignment
commit
|
commitdiff
|
tree
2018-01-10
M
a
rk
Abraham
Add
release notes t
o
source rep
o
commit
|
commitdiff
|
tree
2018-01-10
Mark Abraham
Handle erroneou
s
command
line args
better
commit
|
commitdiff
|
tree
2018-01-09
Mark Abraham
Deactiva
t
e
autoselect of PME on GPU on separate rank
commit
|
commitdiff
|
tree
2018-01-09
Mark Abr
a
ham
Clean up user guide
f
or r
e
lea
s
e
commit
|
commitdiff
|
tree
2018-01-09
Mark Abra
h
am
Merge branch release-2016
i
nto release-2018
commit
|
commitdiff
|
tree
2018-01-05
Mark Abraham
Remove FindC
U
DA fro
m
so
u
r
c
e
tarball
commit
|
commitdiff
|
tree
2018-01-04
M
ark Abraham
Add test conf
i
g
of GPU build
o
n slave without
G
P
U
commit
|
commitdiff
|
tree
2018-01-03
Ma
r
k Abraham
Fix dupl
i
c
ate w
a
rning
commit
|
commitdiff
|
tree
2018-01-02
Mark Ab
r
aham
Fix membed by c
a
lling the proper mtop finalizat
i
on
.
.
.
commit
|
commitdiff
|
tree
2017-12-30
Mark
A
b
raham
First relea
s
e
c
andidate for
version 2018
commit
|
commitdiff
|
tree
2017-12-29
Mark A
b
raham
Separate canDetect
G
pus
and findGp
u
s futher, an
d
fix
.
.
.
commit
|
commitdiff
|
tree
2017-12-27
M
ark Abraham
Sile
n
c
e
P
O
W
ER8 co
m
piler
w
arnings
commit
|
commitdiff
|
tree
2017-12-22
Ma
r
k A
b
r
a
ham
Merge branch release-2016 into
rel
e
ase-2
0
18
commit
|
commitdiff
|
tree
2017-12-21
Mark Abrah
a
m
Merge branch re
l
ease-5-
1
into release-2
0
1
6
commit
|
commitdiff
|
tree
2017-12-21
Mark Abraham
Bump min
o
r version for theoretica
l
new r
e
l
eas
e
commit
|
commitdiff
|
tree
2017-12-21
Mark Abraham
U
pdate double-precis
i
on t
e
s
t confi
g
uratio
n
s
commit
|
commitdiff
|
tree
2017-12-21
M
a
rk Abraham
V
e
r
si
o
n 5
.
1
.
5
commit
|
commitdiff
|
tree
2017-12-20
Mark Ab
r
aham
U
se new d
e
faultRealTo
l
e
r
a
nce() to stabili
s
e so
m
e
tests
commit
|
commitdiff
|
tree
2017-12-20
Mark
Abraha
m
Merge "Merge branch re
l
ease-2016 into release-2018
.
.
.
commit
|
commitdiff
|
tree
2017-12-20
Mark A
b
raham
Merge br
a
nch release-20
1
6 into release-2
0
18
commit
|
commitdiff
|
tree
2017-12-19
Mark Abra
h
a
m
Third b
e
ta
release of 2018
commit
|
commitdiff
|
tree
2017-12-19
Mar
k
Ab
r
aham
Fi
x
tabl
e
tests an
d
imp
r
ove t
a
bl
e
constr
u
c
tion
commit
|
commitdiff
|
tree
2017-12-15
Mark Abraham
Make OpenCL imple
m
entation of gpu_utils te
s
ts conform
commit
|
commitdiff
|
tree
2017-12-14
Mark Ab
r
aham
A
v
oid confus
i
ng message at
e
n
d of no
n
-d
y
na
m
ical ru
n
s
commit
|
commitdiff
|
tree
2017-12-14
Mar
k
Abraham
Fix return va
l
ues of frame-rea
d
in
g
f
u
ncti
o
ns
commit
|
commitdiff
|
tree
2017-12-14
Mark Abraham
M
ake AVX-512 CMake detct
i
on work
commit
|
commitdiff
|
tree
2017-12-14
M
a
r
k
Abraham
Mer
g
e "Merge branch release-201
6
into r
e
l
e
ase-20
1
8
.
.
.
commit
|
commitdiff
|
tree
2017-12-12
M
a
rk Abra
h
am
Im
p
rove grompp
missing-parameters error
messa
g
e
commit
|
commitdiff
|
tree
2017-12-12
Mark Abraha
m
Merg
e
branch release-2
0
16 into r
e
l
ease-20
1
8
commit
|
commitdiff
|
tree
2017-12-11
Mar
k
A
b
ra
h
am
Sec
o
n
d
beta relea
s
e of 2018
commit
|
commitdiff
|
tree
2017-12-11
Mark Abraham
Leave
NVM
L
u
s
e o
f
f by
d
ef
a
u
l
t
commit
|
commitdiff
|
tree
2017-12-11
Ma
r
k Abra
h
am
Check
f
or GPU
detection support befor
e
detec
t
in
g
commit
|
commitdiff
|
tree
2017-12-11
Mark Abraham
Consume any
error
p
roduced dur
i
ng
G
PU de
t
ection
commit
|
commitdiff
|
tree
2017-12-11
Mark Abra
h
a
m
Avoid s
i
g
n
ed-ov
e
rflow warning with gcc 7
commit
|
commitdiff
|
tree
2017-12-11
Mark A
b
raham
Remove
S
I
M
D
shift op
e
rator
s
commit
|
commitdiff
|
tree
2017-12-08
Mark Abra
h
a
m
Refine
u
lp tolerances for some more ewald tests
commit
|
commitdiff
|
tree
2017-12-05
Mark Abraham
Fix
m
drun -nb auto -p
m
e
a
uto when GPUs are absent
commit
|
commitdiff
|
tree
2017-12-05
Mark
Abraham
Upd
a
te t
e
sting
to inc
l
ude cmak
e
3
.
10
.
0
commit
|
commitdiff
|
tree
2017-12-04
Ma
r
k Abr
a
ham
Fix fre
e
_
g
pu
commit
|
commitdiff
|
tree
2017-12-04
Mark Abraham
Fix unused variables in CPU pr
u
n
ing ke
r
nels
commit
|
commitdiff
|
tree
2017-12-04
Mark Abraha
m
M
erge branch release-2016 into release-2018
commit
|
commitdiff
|
tree
2017-12-03
Ma
r
k
Abr
a
ham
Fix fft5d pinning
commit
|
commitdiff
|
tree
2017-11-28
Mark Abr
a
ham
GROMACS 2018 first
beta
re
l
eas
e
commit
|
commitdiff
|
tree
2017-11-24
Mark Abraham
Up
d
ate develo
p
er guide
commit
|
commitdiff
|
tree
2017-11-24
Mar
k
Abraham
Activate PME on
G
P
U
s
commit
|
commitdiff
|
tree
2017-11-24
Mark Abraham
S
eparate m
a
nagem
e
nt of
G
PU contexts from m
o
d
u
les
commit
|
commitdiff
|
tree
2017-11-24
Mark Abraham
Add PM
E
integration
t
est
commit
|
commitdiff
|
tree
2017-11-24
Mark
Abraham
E
xtend task assign
m
ent
code
commit
|
commitdiff
|
tree
2017-11-21
Ma
r
k Abr
a
h
a
m
Use much less Padd
e
dRVecVector
and more ArrayRef of
.
.
.
commit
|
commitdiff
|
tree
2017-11-21
Mark Abr
a
ham
Suppor
t
pinning in Hos
t
Al
l
ocator
commit
|
commitdiff
|
tree
2017-11-20
Mark
Abraham
F
i
x
ni
g
htly m
a
trix
c
onfig
commit
|
commitdiff
|
tree
2017-11-19
Mark Abraham
F
ix FindCUDA
.
cmake
f
or -Wund
e
f
commit
|
commitdiff
|
tree
2017-11-17
M
a
rk Abraham
U
s
e
H
ostAl
l
oc
a
tionPolic
y
fo
r
c
har
g
e
A
commit
|
commitdiff
|
tree
2017-11-17
Ma
r
k Abrah
a
m
A
d
d c
h
eckin
g
function for whether a b
u
f
f
e
r
is p
i
nned
commit
|
commitdiff
|
tree
2017-11-17
Mark Abraham
Improve handling of PME G
P
U force buffe
r
commit
|
commitdiff
|
tree
2017-11-10
Mar
k
Abraham
I
mpor
t
cmake Modules/F
i
n
dCUDA
.
cmake
commit
|
commitdiff
|
tree
2017-11-09
Mark Abraham
Pre
p
ared
t
_
mda
t
om
s
f
o
r using vect
o
r
commit
|
commitdiff
|
tree
2017-11-09
Mark
Abraha
m
Introdu
c
e HostAll
o
cationPolicy
commit
|
commitdiff
|
tree
2017-11-07
Ma
r
k Abr
a
ham
Refor
m
gmx_pme_pp all
o
c
and
use vect
o
r
commit
|
commitdiff
|
tree
2017-11-07
Mark Ab
r
aham
Intr
o
du
c
e g
m
xopencl
.
h
commit
|
commitdiff
|
tree
next