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Version 2018.1
2018-03-21
M
ark
Abraham
Ve
r
sion 201
8
.
1
commit
|
commitdiff
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tree
2018-03-21
Mar
k
Abrah
a
m
Merge
"
M
erge branch rele
a
se-2016
int
o
release-2018
.
.
.
commit
|
commitdiff
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tree
2018-03-21
Mark Abraha
m
Update rele
a
se notes for
2
018
.
1
commit
|
commitdiff
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tree
2018-03-20
Ma
r
k A
b
r
a
ham
Merge branch release-
2
016 int
o
release-2018
commit
|
commitdiff
|
tree
2018-03-20
Mark Abr
a
ham
Update us
e
of gpu_id i
n
Jenkins
commit
|
commitdiff
|
tree
2018-03-20
Mark Abraham
Update use
o
f
gpu_id in Jenkins
commit
|
commitdiff
|
tree
2018-03-19
M
a
rk A
b
raham
Fix
VS
X
SIMD wit
h
gcc 8
commit
|
commitdiff
|
tree
2018-03-12
M
a
rk Abraham
Test g
c
c-6 and cuda-9
.
0
commit
|
commitdiff
|
tree
2018-03-06
Mark Abraham
F
i
x
ed dvdlam
b
da for SHA
K
E + FE
commit
|
commitdiff
|
tree
2018-02-27
Mark Abraham
Fix GPU utils te
s
t
commit
|
commitdiff
|
tree
2018-02-26
Mark Abra
h
am
Permit
define
.
mdp fiel
d
to assign va
l
ues
commit
|
commitdiff
|
tree
2018-02-26
Mark Abraham
Organiz
e
for recordi
n
g 2016-era rele
a
se
n
ote
s
and add
.
.
.
commit
|
commitdiff
|
tree
2018-02-16
M
ark Abraham
Merge br
a
nc
h
release-
2
016 into release-2018
commit
|
commitdiff
|
tree
2018-02-16
Mark Abraham
Bumped
patc
h
version for next
relea
s
e
commit
|
commitdiff
|
tree
2018-02-16
Mark Abraham
Versio
n
20
1
6
.
5
commit
|
commitdiff
|
tree
2018-02-14
Mark Abraham
Merge branch
release-
2
016 into releas
e
-2018
commit
|
commitdiff
|
tree
2018-02-14
Mark Abraham
Fix b
u
g in checkp
o
int error checking
commit
|
commitdiff
|
tree
2018-02-14
Mark Ab
r
aham
P
r
epare
release not
e
s for 2
0
1
8
.
1
commit
|
commitdiff
|
tree
2018-02-13
M
ark Abraham
U
se
d
eath test only when suppor
t
ed
commit
|
commitdiff
|
tree
2018-02-08
M
a
r
k
Abrah
a
m
U
s
e
m
o
re port
a
b
le python sh
e
bangs
commit
|
commitdiff
|
tree
2018-02-08
Mar
k
A
b
r
aham
Merge "Mer
g
e bra
n
c
h
release
-
201
6
i
n
t
o release-
2
018
.
.
.
commit
|
commitdiff
|
tree
2018-02-08
Mark Ab
r
aha
m
Merge branch release-2016 i
n
to release-2018
commit
|
commitdiff
|
tree
2018-02-06
Mark Abraham
Prevent log f
i
le energy ave
r
age pr
i
nti
n
g
dividing b
y
.
.
.
commit
|
commitdiff
|
tree
2018-02-06
Ma
r
k
Abrah
a
m
Us
e
i
s
finite unambiguously
commit
|
commitdiff
|
tree
2018-01-24
M
a
rk Abraham
Move Windows
i
cc config to pos
t
-
s
ubm
i
t testing
commit
|
commitdiff
|
tree
2018-01-11
Mark Ab
r
aha
m
Bumped vers
i
o
n for
next patch relea
s
e
commit
|
commitdiff
|
tree
2018-01-11
M
a
r
k Abraham
Version 2018
commit
|
commitdiff
|
tree
2018-01-11
Mark A
b
raham
Anno
u
nce in u
s
er log files
t
hat feat
u
res
a
re depre
c
ated
.
commit
|
commitdiff
|
tree
2018-01-10
Mark
Abra
h
am
Fix a
u
tomated G
P
U ID assignment
commit
|
commitdiff
|
tree
2018-01-10
Mark A
b
raham
Add release notes to source repo
commit
|
commitdiff
|
tree
2018-01-10
Mark Abraham
Handle erroneous
comm
a
nd line args better
commit
|
commitdiff
|
tree
2018-01-09
Mar
k
Abraham
Dea
c
ti
v
a
t
e autose
l
ect of P
M
E on G
P
U on separate rank
commit
|
commitdiff
|
tree
2018-01-09
Mark Abrah
a
m
Cle
a
n up user guide for
release
commit
|
commitdiff
|
tree
2018-01-09
Mark A
b
r
a
h
am
Merge branc
h
release
-
20
1
6 into release-2018
commit
|
commitdiff
|
tree
2018-01-05
Mark
A
braha
m
Re
m
ove FindCUDA from source tarb
a
ll
commit
|
commitdiff
|
tree
2018-01-04
Mark Abr
a
ham
Add
t
e
s
t config of
GPU build on sl
a
ve wit
h
ou
t
GPU
commit
|
commitdiff
|
tree
2018-01-03
M
a
rk Abraham
Fix d
u
plica
t
e warning
commit
|
commitdiff
|
tree
2018-01-02
Mark Abrah
a
m
Fix membed by calling the proper mto
p
finalization
.
.
.
commit
|
commitdiff
|
tree
2017-12-30
M
a
r
k
Abraham
First release candidat
e
for vers
i
on 2018
commit
|
commitdiff
|
tree
2017-12-29
Mark
A
braham
Separate canDete
c
t
Gpus a
n
d
f
indGpus
f
uther, an
d
fix
.
.
.
commit
|
commitdiff
|
tree
2017-12-27
Mark Abr
a
h
a
m
Silence POWER8 c
o
mpiler
warni
n
gs
commit
|
commitdiff
|
tree
2017-12-22
Ma
r
k Abraham
Mer
g
e branch release-
2
016 into re
l
ease-2018
commit
|
commitdiff
|
tree
2017-12-21
Mark Abraham
Me
r
ge
b
ranch re
l
e
a
se-5-1 into relea
s
e
-
2016
commit
|
commitdiff
|
tree
2017-12-21
Mark Abraham
Bump mi
n
or version for theoretical new release
commit
|
commitdiff
|
tree
2017-12-21
Mark Abra
h
am
Updat
e
double-precision test
c
on
f
igurations
commit
|
commitdiff
|
tree
2017-12-21
Mark
Abra
h
a
m
Versi
o
n 5
.
1
.
5
commit
|
commitdiff
|
tree
2017-12-20
Ma
r
k Abr
a
h
a
m
Use new defaul
t
RealToleran
c
e()
t
o
stabilise some te
s
ts
commit
|
commitdiff
|
tree
2017-12-20
M
a
rk Abr
a
ham
Merge
"Merge branch release-201
6
into release-2018
.
.
.
commit
|
commitdiff
|
tree
2017-12-20
Mark Ab
r
aha
m
Merge br
a
nch release-2016 into relea
s
e-
2
0
1
8
commit
|
commitdiff
|
tree
2017-12-19
Mark Abraham
Third beta
rel
e
ase of 2018
commit
|
commitdiff
|
tree
2017-12-19
Mark Abraham
Fix table tests and improve table construction
commit
|
commitdiff
|
tree
2017-12-15
M
a
rk Abr
a
ha
m
Make
O
penCL imp
l
e
m
e
ntation of gpu_uti
l
s tests co
n
form
commit
|
commitdiff
|
tree
2017-12-14
M
a
rk Abraham
Avo
i
d
confusing me
s
sag
e
at end of non-dynamical runs
commit
|
commitdiff
|
tree
2017-12-14
M
a
rk Abraham
Fix re
t
urn
v
a
lues of frame-reading
f
unctio
n
s
commit
|
commitdiff
|
tree
2017-12-14
M
a
r
k Abr
a
ham
Make AVX-512 CMake detction
w
ork
commit
|
commitdiff
|
tree
2017-12-14
Mark Abraham
Merge "Merge
b
ranch
r
eleas
e
-2016 i
n
to relea
s
e-2018
.
.
.
commit
|
commitdiff
|
tree
2017-12-12
Mark Abraham
Imp
r
ove grom
p
p mi
s
sing-parameters
e
r
r
o
r me
s
sage
commit
|
commitdiff
|
tree
2017-12-12
Mark
A
braham
Merge branch
release-2016 into rel
e
ase-2018
commit
|
commitdiff
|
tree
2017-12-11
Mark Abraham
S
e
cond beta relea
s
e of 2018
commit
|
commitdiff
|
tree
2017-12-11
Mark
A
b
raham
Le
a
ve NVML
use
off by d
e
f
a
ult
commit
|
commitdiff
|
tree
2017-12-11
Mark
A
braham
Check for GPU
detec
t
ion suppor
t
before de
t
ecting
commit
|
commitdiff
|
tree
2017-12-11
Mark Abraham
Consume any
error p
r
oduced
d
uring GPU de
t
e
ct
i
on
commit
|
commitdiff
|
tree
2017-12-11
Mar
k
Abr
a
h
am
Avoid sign
e
d-overflow
war
n
in
g
with gc
c
7
commit
|
commitdiff
|
tree
2017-12-11
Mark Ab
r
aham
R
e
move
SIMD shift o
p
er
a
tors
commit
|
commitdiff
|
tree
2017-12-08
Mark Ab
r
aham
Ref
i
ne ulp t
o
lerances for
s
o
m
e m
o
re ewal
d
t
ests
commit
|
commitdiff
|
tree
2017-12-05
Mark
A
br
a
ham
Fix
m
drun -nb a
u
t
o -pme a
u
to when GP
U
s
are absent
commit
|
commitdiff
|
tree
2017-12-05
Ma
r
k Abraham
U
p
date testing
t
o
i
nclude cmake 3
.
1
0
.
0
commit
|
commitdiff
|
tree
2017-12-04
M
ark Abr
a
ham
Fix free_gpu
commit
|
commitdiff
|
tree
2017-12-04
Mark Abraham
F
i
x unused variabl
e
s in CPU pruning k
e
rnels
commit
|
commitdiff
|
tree
2017-12-04
Mark
A
braha
m
Merge bra
n
ch release-2016 into relea
s
e-2018
commit
|
commitdiff
|
tree
2017-12-03
Mark Abraham
Fix fft5d pinning
commit
|
commitdiff
|
tree
2017-11-28
Mark
Abraham
G
ROMACS 2018
f
i
rst
beta
r
el
e
ase
commit
|
commitdiff
|
tree
2017-11-24
Mark
A
braham
Up
d
a
t
e deve
l
o
p
er guide
commit
|
commitdiff
|
tree
2017-11-24
M
a
rk A
b
raham
Activ
a
te PME on
G
PUs
commit
|
commitdiff
|
tree
2017-11-24
Mark Abraham
Separate man
a
gement
o
f
G
PU contexts from modu
l
es
commit
|
commitdiff
|
tree
2017-11-24
Mark Abraham
Add PME integration t
e
st
commit
|
commitdiff
|
tree
2017-11-24
M
a
rk A
b
raham
Ex
t
end task assign
m
ent code
commit
|
commitdiff
|
tree
2017-11-21
Mark Abr
a
ham
Use much less Padde
d
RVec
V
ecto
r
and more ArrayR
e
f of
.
.
.
commit
|
commitdiff
|
tree
2017-11-21
Mar
k
Abraham
Support pinning in
H
ostAlloca
t
or
commit
|
commitdiff
|
tree
2017-11-20
Mark Ab
r
a
h
a
m
Fix night
l
y matrix
c
o
n
f
ig
commit
|
commitdiff
|
tree
2017-11-19
M
a
rk Abrah
a
m
F
ix
FindCUDA
.
cmake for -Wundef
commit
|
commitdiff
|
tree
2017-11-17
Mark Ab
r
aham
U
se HostAllocationPolicy for
chargeA
commit
|
commitdiff
|
tree
2017-11-17
Mark
Abraham
Add checking function for whether
a buffer is pinned
commit
|
commitdiff
|
tree
2017-11-17
Mark Abraham
Improve handl
i
ng
of PME GPU force b
u
ffer
commit
|
commitdiff
|
tree
2017-11-10
Mark Abraham
Import cmake Mod
u
les/FindCUDA
.
c
make
commit
|
commitdiff
|
tree
2017-11-09
Mark Abraham
Pre
p
ared t_
m
datoms for using vector
commit
|
commitdiff
|
tree
2017-11-09
Mark
Abraham
Intr
o
duce HostAllocatio
n
Policy
commit
|
commitdiff
|
tree
2017-11-07
M
ark Ab
r
a
h
am
Reform
g
m
x_pme_pp alloc
and use v
e
ctor
commit
|
commitdiff
|
tree
2017-11-07
Mar
k
Ab
r
aham
Int
r
oduc
e
gmxopencl
.
h
commit
|
commitdiff
|
tree
2017-11-07
Mark
Abraham
Test
clan
g
on ARM in nightly
m
atrix
commit
|
commitdiff
|
tree
2017-11-07
Mark Abraham
Im
p
ro
v
e PME includes
commit
|
commitdiff
|
tree
2017-11-03
Mark Abraham
Merge "Merge b
r
anch release-2016"
commit
|
commitdiff
|
tree
2017-11-02
M
ark Abraham
M
e
rge branch rele
a
se-20
1
6
commit
|
commitdiff
|
tree
2017-11-01
M
ark
Abrah
a
m
Fix
thread-MPI rank choice for orientation
restrain
t
s
commit
|
commitdiff
|
tree
2017-11-01
M
a
rk A
b
raham
Improve handli
n
g of GP
U
ID
s
commit
|
commitdiff
|
tree
2017-10-31
Mar
k
Abrah
a
m
U
pd
a
te treatment of GP
U
c
o
m
p
atibil
i
ty data structu
r
e
commit
|
commitdiff
|
tree
2017-10-30
Ma
r
k Abraham
F
i
x and update h
w
_info
commit
|
commitdiff
|
tree
2017-10-27
Mark Ab
r
aham
F
ix hw detection more
commit
|
commitdiff
|
tree
2017-10-26
Mark Abraham
M
ake
release matrix work again
commit
|
commitdiff
|
tree
2017-10-26
Mark
A
br
a
ha
m
New qu
o
te
commit
|
commitdiff
|
tree
next