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Leave NVML use off by default
2017-12-11
Mark Ab
r
ah
a
m
Leave NVML use off
b
y defau
l
t
commit
|
commitdiff
|
tree
2017-12-11
Mark Abr
a
ham
C
h
eck
f
or GPU dete
c
ti
o
n suppor
t
before
d
etecting
commit
|
commitdiff
|
tree
2017-12-11
Mar
k
Abraham
C
onsume any error produced duri
n
g
GPU detection
commit
|
commitdiff
|
tree
2017-12-11
Mark Abraha
m
Av
o
id
signed-overflow warning with g
c
c 7
commit
|
commitdiff
|
tree
2017-12-11
M
ark
Abraha
m
Remo
v
e SIMD shift operators
commit
|
commitdiff
|
tree
2017-12-08
Mark Abraha
m
Re
f
ine ulp
to
l
erances fo
r
some more ew
a
ld tests
commit
|
commitdiff
|
tree
2017-12-05
M
ark Ab
r
a
h
a
m
Fix mdrun -nb auto -pme a
u
to wh
e
n
GPUs
ar
e
ab
s
ent
commit
|
commitdiff
|
tree
2017-12-05
Mar
k
A
braham
Update
testing
to
incl
u
de
cmake 3
.
10
.
0
commit
|
commitdiff
|
tree
2017-12-04
Mark Abraham
F
ix free_g
p
u
commit
|
commitdiff
|
tree
2017-12-04
Mark Abraham
Fix unus
e
d variable
s
in CPU pruning kernels
commit
|
commitdiff
|
tree
2017-12-04
Mark
A
braham
M
er
g
e branch
rel
e
as
e
-2016 into release-2018
commit
|
commitdiff
|
tree
2017-12-03
Mark A
b
raham
Fix fft5
d
pinnin
g
commit
|
commitdiff
|
tree
2017-11-28
Mark Abraham
GROMACS
2
0
1
8 f
i
rst
beta release
commit
|
commitdiff
|
tree
2017-11-24
Mark Ab
r
a
h
am
Update deve
l
oper guide
commit
|
commitdiff
|
tree
2017-11-24
Mark Abraham
Activate
P
M
E
on
GPUs
commit
|
commitdiff
|
tree
2017-11-24
Mark Abraham
Separa
t
e managemen
t
of GPU contexts from mod
u
les
commit
|
commitdiff
|
tree
2017-11-24
Ma
r
k Abra
h
am
Add PME int
e
gr
a
tion test
commit
|
commitdiff
|
tree
2017-11-24
Mark Abra
h
am
Extend
t
a
s
k assignment code
commit
|
commitdiff
|
tree
2017-11-21
Mark Abr
a
ham
Use much less Pad
d
e
d
RVecVector and more Arr
a
y
Ref o
f
.
.
.
commit
|
commitdiff
|
tree
2017-11-21
Mark
Abr
a
ham
Support
pinning in Host
A
llocator
commit
|
commitdiff
|
tree
2017-11-20
Mark Abraham
Fi
x
night
l
y
matrix config
commit
|
commitdiff
|
tree
2017-11-19
Mark Abraham
Fix FindCUD
A
.
cmake for -Wundef
commit
|
commitdiff
|
tree
2017-11-17
Mark
Abra
h
am
Use HostAllocat
i
onPo
l
i
c
y for char
g
e
A
commit
|
commitdiff
|
tree
2017-11-17
Mark Abraham
A
d
d c
h
e
cki
n
g
function fo
r
whether a buffer is pi
n
ned
commit
|
commitdiff
|
tree
2017-11-17
Mark Abraham
Impr
o
ve
h
andling of
P
ME GPU
force buffer
commit
|
commitdiff
|
tree
2017-11-10
Mark Abra
h
am
Import cmake
M
odule
s
/Find
C
UDA
.
c
mak
e
commit
|
commitdiff
|
tree
2017-11-09
Mark A
b
raham
Prepar
e
d t_mdatoms for using vec
t
or
commit
|
commitdiff
|
tree
2017-11-09
Mark
Abraham
Introduce HostA
l
locatio
n
P
oli
c
y
commit
|
commitdiff
|
tree
2017-11-07
Mark Ab
r
aham
Refor
m
gmx
_
pme_p
p
alloc and use
vector
commit
|
commitdiff
|
tree
2017-11-07
Ma
r
k Abraham
I
ntroduc
e
gm
x
opencl
.
h
commit
|
commitdiff
|
tree
2017-11-07
Mark A
b
r
aham
Te
s
t
c
lang on A
R
M in night
l
y
matrix
commit
|
commitdiff
|
tree
2017-11-07
Mark
A
b
ra
h
am
Improve PME includes
commit
|
commitdiff
|
tree
2017-11-03
Mark Abraham
M
e
rge "Mer
g
e b
r
anch releas
e
-2016"
commit
|
commitdiff
|
tree
2017-11-02
Mark Ab
r
ah
a
m
Merge branch release-2016
commit
|
commitdiff
|
tree
2017-11-01
Mark
Abraham
Fix thread
-
MP
I
rank choice for orientation re
s
traints
commit
|
commitdiff
|
tree
2017-11-01
Mark Abraham
Improve handli
n
g of GPU IDs
commit
|
commitdiff
|
tree
2017-10-31
Mark A
b
raha
m
U
pdate trea
t
me
n
t o
f
GPU c
o
mpatibility d
a
ta structure
commit
|
commitdiff
|
tree
2017-10-30
Mark A
b
r
aham
Fix and update
hw_info
commit
|
commitdiff
|
tree
2017-10-27
Mar
k
Abraham
F
i
x h
w
detectio
n
more
commit
|
commitdiff
|
tree
2017-10-26
M
ark Abra
h
am
Make release matrix work
again
commit
|
commitdiff
|
tree
2017-10-26
Mark A
b
ra
h
am
New quote
commit
|
commitdiff
|
tree
2017-10-25
Mark Abraham
Teach t
h
e
c
opyright
c
hecker about template
.
c
p
p
commit
|
commitdiff
|
tree
2017-10-20
Mark Abrah
a
m
C
l
a
r
i
f
y docs for Fmax in
E
M
commit
|
commitdiff
|
tree
2017-10-20
M
ark Abra
h
am
Merge branch rele
a
se-2016
commit
|
commitdiff
|
tree
2017-10-16
Mark
A
br
a
ham
Merge branch rele
a
se-
2
016
commit
|
commitdiff
|
tree
2017-10-13
M
a
rk Abra
h
am
Upd
a
t
e tests fo
r
C++11 c
o
m
p
iler an
d
standard lib
r
ary
commit
|
commitdiff
|
tree
2017-10-13
Mar
k
Abrah
a
m
Fix
c
puinfo
on clang + non-x86
commit
|
commitdiff
|
tree
2017-10-11
Mark Ab
r
a
h
am
Introduce
d
header for c
o
m
munic
a
ti
o
n to/from PME ranks
commit
|
commitdiff
|
tree
2017-10-11
Mark Abr
a
ham
Cleaned up ewaldc
o
eff for PME-only ra
n
ks
commit
|
commitdiff
|
tree
2017-10-11
Mark A
b
raham
Use clang-5 in Jenkins
commit
|
commitdiff
|
tree
2017-10-07
Mark Abraham
Tell cppc
h
eck
that
.
cpp and
.
cu fi
l
e
s
a
r
e
c
++
commit
|
commitdiff
|
tree
2017-10-05
Mark
Abraham
Conti
n
ue remo
v
ing -nb gpu_cp
u
commit
|
commitdiff
|
tree
2017-10-04
Mar
k
Abraham
Enable
g
roup-scheme SIMD wit
h
GMX_SIMD=AVX2_
1
28
commit
|
commitdiff
|
tree
2017-10-03
Mark Abraham
Introduce
and use Alig
n
edAllocatio
n
Poli
c
y
commit
|
commitdiff
|
tree
2017-09-19
Mark Abrah
a
m
Update tes
t
ing m
a
t
rices to test wit
h
(
l
atest) icc-18
commit
|
commitdiff
|
tree
2017-09-17
Mark Abrah
a
m
M
e
r
ge bran
c
h release-2016
commit
|
commitdiff
|
tree
2017-09-15
Mark Abraham
Express intent o
f
matrix release build ty
p
es exp
l
icit
l
y
commit
|
commitdiff
|
tree
2017-09-15
Mark Abraham
Bumped patch version for ne
x
t
rele
a
se
commit
|
commitdiff
|
tree
2017-09-15
Mark Ab
r
aham
Version 20
1
6
.
4
commit
|
commitdiff
|
tree
2017-09-14
Mark Abraham
Form task
a
ss
i
gn
m
e
n
t mo
d
ule
commit
|
commitdiff
|
tree
2017-09-14
Mark Abraham
F
i
x
compat module
d
efinition
commit
|
commitdiff
|
tree
2017-09-12
Mark Abra
h
am
Merge branc
h
release-2016
commit
|
commitdiff
|
tree
2017-09-07
Mark Abraham
Int
r
oduce type-safe GPU emulation var
i
ab
l
es
commit
|
commitdiff
|
tree
2017-09-07
M
a
rk Abra
h
am
Enable
g
roup-scheme SIMD ke
r
nels on recent A
V
X extensions
commit
|
commitdiff
|
tree
2017-09-06
Mark A
b
r
a
ham
Prepare V
e
rlet sc
h
eme later in
r
unner
commit
|
commitdiff
|
tree
2017-09-05
Mark
A
bra
h
am
Fixes for Solaris
commit
|
commitdiff
|
tree
2017-09-05
Mark Ab
r
a
ham
Fix use o
f
GP
U
i
n
f
o
r
matio
n
fo
r
thr
e
ad-MPI
setup
commit
|
commitdiff
|
tree
2017-09-03
Mark Abraha
m
Fix c
o
mpiler flags f
o
r using MKL
commit
|
commitdiff
|
tree
2017-09-03
M
ark Abraham
Merge branch
r
elease-5-1 into
releas
e
-2016
commit
|
commitdiff
|
tree
2017-08-25
Mark Abraha
m
F
i
x fla
t
-bottomed position
r
estrai
n
ts
w
i
th mul
t
iple
.
.
.
commit
|
commitdiff
|
tree
2017-08-23
Mark Abraham
Sto
p
ped checkpoint influencing
parall
e
l
i
sm
s
etup
commit
|
commitdiff
|
tree
2017-08-22
Mark Abraham
Run GPU det
e
ction e
v
en for mdrun -nb cpu
commit
|
commitdiff
|
tree
2017-08-22
Mark Abraham
Fixed thr
e
a
d-MP
I
with non-default
-
npme
commit
|
commitdiff
|
tree
2017-08-22
M
a
rk
A
braham
Fix missing declar
a
tion o
f
GM
X
_UNUSE
D
_V
A
LUE
commit
|
commitdiff
|
tree
2017-08-22
Mark
A
b
raha
m
Merge b
r
anch release-2016
commit
|
commitdiff
|
tree
2017-08-21
Mark
A
br
a
ham
Moved increase_nst
l
ist()
to n
b
nxn_tuni
n
g
.
h
commit
|
commitdiff
|
tree
2017-08-21
M
ark Abraham
F
ix compilation
i
ssues with ARM SIM
D
commit
|
commitdiff
|
tree
2017-08-17
Mar
k
Abraham
Repla
c
e consis
t
e
n
cy
c
hecking
w
it
h
a
ssertion
commit
|
commitdiff
|
tree
2017-08-16
M
a
rk A
b
raham
Parse user-
s
upplied GPU
task assignmen
t
o
nly when need
e
d
commit
|
commitdiff
|
tree
2017-08-16
M
a
rk Abra
h
a
m
R
emov
e
dupl
i
c
a
te GPU n
o
n-usage
hint
commit
|
commitdiff
|
tree
2017-08-16
Mark Abra
h
am
Moved logging functionality into GPU usage
r
eport
commit
|
commitdiff
|
tree
2017-08-15
Mark Abraham
Merge
b
ranch r
e
lease-5-1
i
n
to
releas
e
-
2
01
6
commit
|
commitdiff
|
tree
2017-08-15
Mar
k
Abra
h
am
F
i
x valu
e
o
f Ewald shift
commit
|
commitdiff
|
tree
2017-08-10
Mark A
b
raham
Clarify dat
a
flow i
n
GPU task a
s
sign
m
ent
commit
|
commitdiff
|
tree
2017-08-07
Mar
k
Ab
r
aham
Fix
i
nclude depende
n
cy for getenv
commit
|
commitdiff
|
tree
2017-08-07
Mark Abraham
S
im
p
lified han
d
ling of GPU
d
evi
c
e
I
D
s
commit
|
commitdiff
|
tree
2017-08-06
Mark
Abraham
Simpl
i
fy
resource-division ef
f
ici
e
ncy
check
commit
|
commitdiff
|
tree
2017-08-06
Mark Abr
a
ham
S
plit p
r
in
t
hardwa
r
e
from detecthardw
a
re
commit
|
commitdiff
|
tree
2017-08-06
M
a
rk
Abraham
Deco
u
ple ta
s
k assi
g
nmen
t
fro
m
task
e
xecution
commit
|
commitdiff
|
tree
2017-08-06
M
ark
A
b
r
aham
Removed unused
host-side allo
c
a
t
io
n
code
commit
|
commitdiff
|
tree
2017-08-04
Mark Abraham
Stop using
h
winfo_g
f
or reporting code
commit
|
commitdiff
|
tree
2017-08-03
Mark Abraham
Removed unused include stat
e
m
e
nt
s
commit
|
commitdiff
|
tree
2017-08-01
Mark
A
braham
Intro
d
u
ced Mdrunner high-lev
e
l
class
commit
|
commitdiff
|
tree
2017-07-27
Mar
k
Abraham
E
n
h
a
nce cma
k
e and releng handling o
f
GM
X
_USE
_
R
DTSCP
commit
|
commitdiff
|
tree
2017-07-24
Ma
r
k Abraham
Separated responsibility for consi
s
tency
c
h
ec
k
ing
commit
|
commitdiff
|
tree
2017-07-24
Mark Abraham
Remove un
n
e
ces
s
ary GPU checking code
commit
|
commitdiff
|
tree
2017-07-20
M
ark Abraham
Cle
a
n
e
d
u
p
b
UseGp
u
in runner
commit
|
commitdiff
|
tree
2017-07-20
Mark Abraham
Stop duplicate printing of detected GPUs
commit
|
commitdiff
|
tree
2017-07-20
Mark
Abraham
Fix use of GMX_
S
I
MD in own-
f
ftw build
commit
|
commitdiff
|
tree
2017-07-19
M
a
r
k
Abrah
a
m
M
ade post-submit
confi
g
to test clang+openmp
.
commit
|
commitdiff
|
tree
next