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Version 2018.1
2018-03-21
M
ark A
b
raham
Ve
r
sion 2
0
18
.
1
commit
|
commitdiff
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tree
2018-03-21
Mark Abraham
Me
r
g
e
"Me
r
g
e branch release-2016
into r
e
lease-2018
.
.
.
commit
|
commitdiff
|
tree
2018-03-21
Ma
r
k
Abraham
Update r
e
l
ease notes fo
r
2018
.
1
commit
|
commitdiff
|
tree
2018-03-20
Mar
k
Abraham
M
e
rge branch re
l
ease-2016 into rele
a
s
e-2018
commit
|
commitdiff
|
tree
2018-03-20
Mark Abraham
U
p
date use
o
f gp
u
_i
d
i
n Jenkins
commit
|
commitdiff
|
tree
2018-03-20
Mark Abraham
Upd
a
te use of gpu_id in
Jenkins
commit
|
commitdiff
|
tree
2018-03-19
Mark Abraham
F
i
x
VSX SIMD with gcc 8
commit
|
commitdiff
|
tree
2018-03-12
Mark Abraham
Test gcc-6 and cud
a
-9
.
0
commit
|
commitdiff
|
tree
2018-03-06
Mark Abraham
Fixed
d
vdlambda
fo
r
SHAKE + FE
commit
|
commitdiff
|
tree
2018-02-27
M
a
r
k Abraham
Fix GP
U
u
t
i
ls
t
est
commit
|
commitdiff
|
tree
2018-02-26
Mark Abraham
Permit
define
.
mdp
field t
o
assign values
commit
|
commitdiff
|
tree
2018-02-26
Mark Abr
a
ham
Organ
i
ze for recording 2
0
16-era
r
elease no
t
e
s
and add
.
.
.
commit
|
commitdiff
|
tree
2018-02-16
Mark A
b
raham
Mer
g
e
branch relea
s
e-2
0
16
into release-20
1
8
commit
|
commitdiff
|
tree
2018-02-16
Mark Abraham
Bumped patch
v
e
rsio
n
for next release
commit
|
commitdiff
|
tree
2018-02-16
M
ark Abraham
Ve
r
sion 201
6
.
5
commit
|
commitdiff
|
tree
2018-02-14
Mark Ab
r
aham
Merg
e
br
a
nch releas
e
-2016 into release-2
0
1
8
commit
|
commitdiff
|
tree
2018-02-14
Mark A
b
raham
Fix
b
ug in checkpoint error checking
commit
|
commitdiff
|
tree
2018-02-14
Mark
Ab
r
aham
Pr
e
pa
r
e rel
e
ase notes for
2
01
8
.
1
commit
|
commitdiff
|
tree
2018-02-13
Mark Ab
r
aham
Use
death test only when
s
up
p
ort
e
d
commit
|
commitdiff
|
tree
2018-02-08
Mark
A
braham
Use
m
o
r
e por
t
a
b
le
p
ython she
b
ang
s
commit
|
commitdiff
|
tree
2018-02-08
Mark Abraham
Merge "Merge branch release-2
0
1
6
in
t
o rel
e
ase-201
8
.
.
.
commit
|
commitdiff
|
tree
2018-02-08
Mark Abr
a
ham
Merge branch release-2016 into release-2018
commit
|
commitdiff
|
tree
2018-02-06
Mark Abraham
Pre
v
ent
l
og file energy
av
e
r
age printing d
i
viding by
.
.
.
commit
|
commitdiff
|
tree
2018-02-06
Mark Abraham
U
s
e isfin
i
te unambiguously
commit
|
commitdiff
|
tree
2018-01-24
Mark Abraham
M
o
ve Windows i
c
c c
o
nfig to
p
ost-subm
i
t testing
commit
|
commitdiff
|
tree
2018-01-11
M
a
rk Abraham
Bumped version for next
p
atc
h
release
commit
|
commitdiff
|
tree
2018-01-11
Mar
k
A
b
raham
Versi
o
n
20
1
8
commit
|
commitdiff
|
tree
2018-01-11
Mark
A
braham
A
n
nounce i
n
user
log files that features are deprecate
d
.
commit
|
commitdiff
|
tree
2018-01-10
Mark Ab
r
aham
Fix automated G
P
U ID assignment
commit
|
commitdiff
|
tree
2018-01-10
Mark Abra
h
am
Add re
l
ease notes to source r
e
po
commit
|
commitdiff
|
tree
2018-01-10
M
a
rk Abraham
Handle e
r
ron
e
o
us
c
omman
d
line
a
r
gs bet
t
er
commit
|
commitdiff
|
tree
2018-01-09
Mark Abraham
Deactivate autoselect
o
f
PM
E
on G
P
U
on separate ra
n
k
commit
|
commitdiff
|
tree
2018-01-09
Mar
k
A
b
r
aham
Clean up user guide for relea
s
e
commit
|
commitdiff
|
tree
2018-01-09
Mark A
b
raham
M
e
rge b
r
anch release-2016 in
t
o release-2018
commit
|
commitdiff
|
tree
2018-01-05
Ma
r
k
Abr
a
ham
Remo
v
e FindCUDA from source tarball
commit
|
commitdiff
|
tree
2018-01-04
Ma
r
k A
b
raham
A
dd
t
e
s
t config of GP
U
buil
d
on s
l
a
ve with
o
u
t GPU
commit
|
commitdiff
|
tree
2018-01-03
Mark Abraha
m
Fix duplicate warning
commit
|
commitdiff
|
tree
2018-01-02
Mark Abraham
Fix membed by calling
t
h
e
pr
o
p
er mtop fina
l
i
z
ation
.
.
.
commit
|
commitdiff
|
tree
2017-12-30
Mark
A
bra
h
am
First release cand
i
d
a
t
e
for ve
r
sion
20
1
8
commit
|
commitdiff
|
tree
2017-12-29
Ma
r
k
Abr
a
h
am
Separate can
D
etectGpus and f
i
ndGpus futher, and fix
.
.
.
commit
|
commitdiff
|
tree
2017-12-27
Mark Abraham
Silence POWER8
compiler warnings
commit
|
commitdiff
|
tree
2017-12-22
Mark
A
braha
m
Merge
b
ran
c
h relea
s
e-2
0
16 into re
l
ease-2018
commit
|
commitdiff
|
tree
2017-12-21
Mark Abraham
Me
r
ge branch
r
el
e
ase-5
-
1 into rele
a
se
-
2016
commit
|
commitdiff
|
tree
2017-12-21
Mark Abr
a
ham
Bump min
o
r version for theore
t
i
c
al new release
commit
|
commitdiff
|
tree
2017-12-21
Mark Abr
a
ham
Update double-
p
recis
i
on test c
o
nfigu
r
at
i
on
s
commit
|
commitdiff
|
tree
2017-12-21
Mark Abr
a
ham
Version 5
.
1
.
5
commit
|
commitdiff
|
tree
2017-12-20
Mark
Abraham
U
s
e new d
e
faul
t
RealTol
e
rance() to stabilise so
m
e tests
commit
|
commitdiff
|
tree
2017-12-20
Ma
r
k
Abraham
M
erge "Merge
b
ran
c
h
release-201
6
into release
-
2018
.
.
.
commit
|
commitdiff
|
tree
2017-12-20
M
a
rk Abraham
Merge b
r
anch
r
e
l
ease-2016 i
n
to
r
elease-2018
commit
|
commitdiff
|
tree
2017-12-19
Mark Abr
a
ha
m
Third beta release of 201
8
commit
|
commitdiff
|
tree
2017-12-19
Mark Abrah
a
m
Fix tabl
e
t
ests a
n
d improve tab
l
e c
o
nstruction
commit
|
commitdiff
|
tree
2017-12-15
Mark Abraham
Make OpenCL imple
m
entat
i
on of g
p
u_utils
t
e
s
t
s conform
commit
|
commitdiff
|
tree
2017-12-14
Mark Abra
h
am
Avoid confusing me
s
sage at end of non-dynami
c
al run
s
commit
|
commitdiff
|
tree
2017-12-14
Mark
Abraham
Fix return v
a
lues of
frame-reading functions
commit
|
commitdiff
|
tree
2017-12-14
Mark
Abraham
Make AVX-
5
12 CMake
detction work
commit
|
commitdiff
|
tree
2017-12-14
Mark
Ab
r
aham
M
er
g
e "Mer
g
e branch release-2016 in
t
o
release-2018
.
.
.
commit
|
commitdiff
|
tree
2017-12-12
Mark Abraham
I
m
p
rove
gr
o
mpp missing-param
e
ters err
o
r message
commit
|
commitdiff
|
tree
2017-12-12
Ma
r
k Abraham
Merge branc
h
release-2016 into release-2018
commit
|
commitdiff
|
tree
2017-12-11
Mark
Abra
h
a
m
Seco
n
d beta release of 2018
commit
|
commitdiff
|
tree
2017-12-11
Ma
r
k A
b
r
a
ham
L
e
ave
N
VML use off b
y
default
commit
|
commitdiff
|
tree
2017-12-11
Mark Abrah
a
m
Check fo
r
GPU detecti
o
n support
b
efore
d
etecting
commit
|
commitdiff
|
tree
2017-12-11
Mark Abraham
Consume any
e
rr
o
r produ
c
ed during GPU d
e
tection
commit
|
commitdiff
|
tree
2017-12-11
Mark Abra
h
am
Avoid sig
n
e
d-overflow
w
arni
n
g
w
i
th g
c
c 7
commit
|
commitdiff
|
tree
2017-12-11
M
a
rk Abra
h
a
m
Remove
SIMD
s
hift op
e
rato
r
s
commit
|
commitdiff
|
tree
2017-12-08
Mark Abraham
Refine ulp t
o
lerance
s
for some more ew
a
ld tests
commit
|
commitdiff
|
tree
2017-12-05
Mark Abraham
Fix
m
drun -nb auto -pme auto w
h
en
G
PUs
a
r
e absen
t
commit
|
commitdiff
|
tree
2017-12-05
Ma
r
k Ab
r
aham
Update tes
t
ing to
in
c
lude cmak
e
3
.
10
.
0
commit
|
commitdiff
|
tree
2017-12-04
Mark Abr
a
ham
F
i
x free_g
p
u
commit
|
commitdiff
|
tree
2017-12-04
Mark
Abraham
Fix
unused
va
r
iables in CPU pru
n
ing ke
r
nels
commit
|
commitdiff
|
tree
2017-12-04
Mark Abr
a
ham
Merge bra
n
ch release-2016 into release-2018
commit
|
commitdiff
|
tree
2017-12-03
Mark Abraham
Fix
f
f
t
5d
p
inn
i
ng
commit
|
commitdiff
|
tree
2017-11-28
Mark Abraham
GROMAC
S
2
0
18 fi
r
s
t b
e
ta rel
e
a
s
e
commit
|
commitdiff
|
tree
2017-11-24
M
a
rk Ab
r
aham
Updat
e
develope
r
guide
commit
|
commitdiff
|
tree
2017-11-24
Mark Abraham
Activate PME on
G
PUs
commit
|
commitdiff
|
tree
2017-11-24
M
ark Abraham
Separate m
a
nagement of GPU contexts from modules
commit
|
commitdiff
|
tree
2017-11-24
Mark
A
br
a
ham
Add PM
E
in
t
egra
t
ion te
s
t
commit
|
commitdiff
|
tree
2017-11-24
M
ark A
b
raham
Extend task assig
n
m
e
nt
c
o
d
e
commit
|
commitdiff
|
tree
2017-11-21
Mark Abrah
a
m
Use
m
uc
h
less Pad
d
edR
V
ecVect
o
r a
n
d mor
e
ArrayR
e
f
o
f
.
.
.
commit
|
commitdiff
|
tree
2017-11-21
Mark Abraham
Su
p
port pinnin
g
in Host
A
ll
o
cator
commit
|
commitdiff
|
tree
2017-11-20
Mark
Abraham
Fix ni
g
htly matrix confi
g
commit
|
commitdiff
|
tree
2017-11-19
Mark Abraham
Fix F
i
n
d
C
UDA
.
cmake for -Wundef
commit
|
commitdiff
|
tree
2017-11-17
Mark Abraham
Use Ho
s
t
AllocationPo
l
icy for chargeA
commit
|
commitdiff
|
tree
2017-11-17
M
a
rk Abraham
Add
checki
n
g
func
t
ion for wh
e
ther a buffer is pinned
commit
|
commitdiff
|
tree
2017-11-17
Mark Abraham
Improve handling of PME GPU
f
o
rce buff
e
r
commit
|
commitdiff
|
tree
2017-11-10
Mark Abraham
I
mport c
m
ake Modules/Find
C
UDA
.
cmake
commit
|
commitdiff
|
tree
2017-11-09
Mark
A
braham
Prepared t_mdatoms for using vector
commit
|
commitdiff
|
tree
2017-11-09
Mark Abra
h
am
I
n
tr
o
duce HostA
l
locationPolicy
commit
|
commitdiff
|
tree
2017-11-07
Mark Abraha
m
Reform gm
x
_pme_pp
a
l
l
o
c
and use vector
commit
|
commitdiff
|
tree
2017-11-07
M
a
r
k
Abraham
Introduce gmxopencl
.
h
commit
|
commitdiff
|
tree
2017-11-07
Ma
r
k Abraham
Test clan
g
on ARM
i
n
nightly matrix
commit
|
commitdiff
|
tree
2017-11-07
Ma
r
k Abraham
Improve PME includes
commit
|
commitdiff
|
tree
2017-11-03
Mark
A
braham
Merge "Merge bra
n
c
h r
e
leas
e
-20
1
6"
commit
|
commitdiff
|
tree
2017-11-02
Mark Abraham
Merge bra
n
ch r
e
lease-2016
commit
|
commitdiff
|
tree
2017-11-01
Mark Abra
h
a
m
Fix t
h
r
e
a
d-MPI rank ch
o
ice
fo
r
orientation r
e
strai
n
ts
commit
|
commitdiff
|
tree
2017-11-01
Mark Abraham
Improve han
d
l
i
ng
of GP
U
I
D
s
commit
|
commitdiff
|
tree
2017-10-31
Ma
r
k Abraham
Update tre
a
tment of GPU compa
t
ibil
i
ty
d
ata structure
commit
|
commitdiff
|
tree
2017-10-30
Ma
r
k Abraham
Fix and u
p
date hw_info
commit
|
commitdiff
|
tree
2017-10-27
Mark Abr
a
ham
Fix
hw
d
et
e
ction more
commit
|
commitdiff
|
tree
2017-10-26
M
ark Abraham
Make relea
s
e
matrix w
o
rk agai
n
commit
|
commitdiff
|
tree
2017-10-26
M
a
rk
Abraham
New quote
commit
|
commitdiff
|
tree
next