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Leave NVML use off by default
2017-12-11
Mark
A
braham
Leav
e
N
V
ML use
o
f
f by
d
efault
commit
|
commitdiff
|
tree
2017-12-11
M
a
r
k
Abraham
Check for GPU detection support before detecting
commit
|
commitdiff
|
tree
2017-12-11
Mark Abraham
Consu
m
e
a
ny er
r
o
r
pro
d
uced du
r
ing GPU det
e
ction
commit
|
commitdiff
|
tree
2017-12-11
Mark Abraham
Avoid
signed-ov
e
rflow
warning with gcc 7
commit
|
commitdiff
|
tree
2017-12-11
M
ark Abra
h
a
m
Remove
S
I
MD
shift operators
commit
|
commitdiff
|
tree
2017-12-08
Mark Abraham
Refine
ulp tolerances for some more ewald t
e
sts
commit
|
commitdiff
|
tree
2017-12-05
Mark Abraham
Fix
mdrun -n
b
a
uto
-
pme auto
when GP
U
s are ab
s
ent
commit
|
commitdiff
|
tree
2017-12-05
Mark
A
brah
a
m
Updat
e
testin
g
to inc
l
ud
e
cma
k
e
3
.
10
.
0
commit
|
commitdiff
|
tree
2017-12-04
M
a
rk Abraham
F
i
x free_gpu
commit
|
commitdiff
|
tree
2017-12-04
Mark
A
b
raham
Fix unused varia
b
l
e
s
i
n CP
U
prunin
g
kernels
commit
|
commitdiff
|
tree
2017-12-04
Mark
A
br
a
h
a
m
M
e
rge branch
release-
2
016 into release-2018
commit
|
commitdiff
|
tree
2017-12-03
Mark A
b
raham
Fix fft5d pinning
commit
|
commitdiff
|
tree
2017-11-28
Mark
A
brah
a
m
GROMA
C
S
2018 f
i
r
st
b
eta release
commit
|
commitdiff
|
tree
2017-11-24
Mar
k
Abraham
Update dev
e
lope
r
g
uid
e
commit
|
commitdiff
|
tree
2017-11-24
M
ark
Abraham
A
c
t
i
v
a
te PM
E
on GPUs
commit
|
commitdiff
|
tree
2017-11-24
Mark Abr
a
h
a
m
Separate
ma
n
agemen
t
of GPU cont
e
xts from m
o
dules
commit
|
commitdiff
|
tree
2017-11-24
Ma
r
k Abraham
Add PME integration
t
est
commit
|
commitdiff
|
tree
2017-11-24
Mark A
b
raham
Extend task assignment code
commit
|
commitdiff
|
tree
2017-11-21
Ma
r
k Abra
h
a
m
U
se much less Padde
d
RVecVector and mor
e
ArrayRef of
.
.
.
commit
|
commitdiff
|
tree
2017-11-21
Mark Ab
r
aham
Support pinning in HostAlloc
a
t
or
commit
|
commitdiff
|
tree
2017-11-20
Mark A
b
raham
Fix
n
ightly
m
a
trix config
commit
|
commitdiff
|
tree
2017-11-19
Mark Ab
r
ah
a
m
F
ix FindCUD
A
.
cmake for -Wundef
commit
|
commitdiff
|
tree
2017-11-17
M
ark Abrah
a
m
Us
e
HostAllocationPolicy for char
g
eA
commit
|
commitdiff
|
tree
2017-11-17
Mark A
b
raham
Ad
d
checking fun
c
tion for whethe
r
a buffer is pinne
d
commit
|
commitdiff
|
tree
2017-11-17
Mark Abraha
m
Impro
v
e
h
andling of PME G
P
U fo
r
ce buff
e
r
commit
|
commitdiff
|
tree
2017-11-10
M
a
rk Abr
a
ham
I
mport cmak
e
M
odules/Find
C
UDA
.
cmake
commit
|
commitdiff
|
tree
2017-11-09
Ma
r
k Abraham
Prepare
d
t_mdatoms fo
r
u
sin
g
vector
commit
|
commitdiff
|
tree
2017-11-09
Mark
Abraham
I
nt
r
o
duc
e
HostA
l
locationPolicy
commit
|
commitdiff
|
tree
2017-11-07
Mark Abr
a
ham
Reform gmx_pm
e
_pp alloc and use vector
commit
|
commitdiff
|
tree
2017-11-07
Mark Abraham
Introduce
gmx
o
p
e
ncl
.
h
commit
|
commitdiff
|
tree
2017-11-07
Mar
k
Abrah
a
m
T
e
st clang
o
n ARM in nightly m
a
t
rix
commit
|
commitdiff
|
tree
2017-11-07
Mark Abraham
Impro
v
e
P
ME
inclu
d
es
commit
|
commitdiff
|
tree
2017-11-03
Mark Abraham
Merge "Merge branch
r
el
e
a
se-2
0
16"
commit
|
commitdiff
|
tree
2017-11-02
Mark Abra
h
am
Merge branch release-
2
016
commit
|
commitdiff
|
tree
2017-11-01
M
a
rk
A
braham
Fix thre
a
d-MPI rank choi
c
e for
orientation restraints
commit
|
commitdiff
|
tree
2017-11-01
Mark Abrah
a
m
Improve handling of GPU
IDs
commit
|
commitdiff
|
tree
2017-10-31
Mark Abraham
Update treatment
of
GPU c
o
mpatibili
t
y d
a
t
a
structure
commit
|
commitdiff
|
tree
2017-10-30
Mark Abrah
a
m
Fix and
u
pdate hw_in
f
o
commit
|
commitdiff
|
tree
2017-10-27
Mark Abraham
F
i
x
hw detection mo
r
e
commit
|
commitdiff
|
tree
2017-10-26
Mark
A
b
raham
Mak
e
releas
e
matrix
w
o
rk agai
n
commit
|
commitdiff
|
tree
2017-10-26
M
ark
Abra
h
am
New quote
commit
|
commitdiff
|
tree
2017-10-25
M
ark Abraham
T
e
a
ch
t
he
c
o
pyrig
h
t check
e
r a
b
out
t
emplate
.
cpp
commit
|
commitdiff
|
tree
2017-10-20
M
ark
A
br
a
h
a
m
Clarify docs f
o
r
Fmax
i
n
EM
commit
|
commitdiff
|
tree
2017-10-20
Mark
Abra
h
am
Merge
branch r
e
lease-2016
commit
|
commitdiff
|
tree
2017-10-16
Mark Abra
h
am
Merge branch relea
s
e-2016
commit
|
commitdiff
|
tree
2017-10-13
Mark Abraham
Update tests for C+
+
1
1
compiler a
n
d
standard library
commit
|
commitdiff
|
tree
2017-10-13
M
a
r
k
A
braham
Fix cpuinfo
on clang + non-x86
commit
|
commitdiff
|
tree
2017-10-11
Mark Abraham
Introduc
e
d
h
eader fo
r
comm
u
n
i
cati
o
n to/from PME ranks
commit
|
commitdiff
|
tree
2017-10-11
M
ark
Ab
r
ah
a
m
Cleaned up ewaldcoe
f
f
for P
M
E
-
only
r
anks
commit
|
commitdiff
|
tree
2017-10-11
Ma
r
k Abraham
U
se
c
lang-5 in Je
n
kins
commit
|
commitdiff
|
tree
2017-10-07
Mark Abraha
m
Tell
cp
p
check that
.
cpp and
.
cu files are c++
commit
|
commitdiff
|
tree
2017-10-05
Mark Abra
h
a
m
Continue remov
i
ng -nb gpu_
c
pu
commit
|
commitdiff
|
tree
2017-10-04
Mark A
b
raham
Enabl
e
group-sc
h
eme S
I
MD with GMX_SIMD=AV
X
2_128
commit
|
commitdiff
|
tree
2017-10-03
Mark Abraham
In
t
r
oduce and use Aligne
d
Alloca
t
io
n
Poli
c
y
commit
|
commitdiff
|
tree
2017-09-19
Mark A
b
ra
h
am
Update testing matrices to test
w
i
t
h (latest
)
icc-18
commit
|
commitdiff
|
tree
2017-09-17
Mark Abraham
Merg
e
branch rele
a
se-2016
commit
|
commitdiff
|
tree
2017-09-15
Mark Abrah
a
m
Ex
p
ress intent of matrix releas
e
b
u
ild types explicit
l
y
commit
|
commitdiff
|
tree
2017-09-15
Ma
r
k Abraham
Bu
m
ped patch
ver
s
ion
f
or
n
ex
t
release
commit
|
commitdiff
|
tree
2017-09-15
Mark Abraham
Version 20
1
6
.
4
commit
|
commitdiff
|
tree
2017-09-14
Mark Abraham
Form ta
s
kass
i
gnme
n
t module
commit
|
commitdiff
|
tree
2017-09-14
M
ark
A
brah
a
m
Fi
x
c
omp
a
t module
definition
commit
|
commitdiff
|
tree
2017-09-12
Mark Ab
r
aham
Me
r
ge bran
c
h relea
s
e
-
2016
commit
|
commitdiff
|
tree
2017-09-07
Mark Abraham
I
n
t
r
o
d
uce ty
p
e-sa
f
e GPU emulation va
r
iables
commit
|
commitdiff
|
tree
2017-09-07
Ma
r
k Abraham
Enable group-scheme
SIMD ker
n
els on recent AVX extensions
commit
|
commitdiff
|
tree
2017-09-06
Mark
Abraham
Prepar
e
Verlet s
c
heme
l
ater
in
runner
commit
|
commitdiff
|
tree
2017-09-05
Mark
Abraham
Fix
e
s
for So
l
a
ris
commit
|
commitdiff
|
tree
2017-09-05
M
ar
k
A
b
raham
Fix use of
GPU inf
o
rmation
f
or thre
a
d
-
MPI setup
commit
|
commitdiff
|
tree
2017-09-03
Mark
Abraham
Fix compile
r
flags for using M
K
L
commit
|
commitdiff
|
tree
2017-09-03
M
ark
Ab
r
aham
Merge
b
r
anch
r
elease-5-1 into
rel
e
ase
-
2
016
commit
|
commitdiff
|
tree
2017-08-25
M
ark Abraha
m
Fix f
l
at-bott
o
med position
r
estraints w
i
t
h
multiple
.
.
.
commit
|
commitdiff
|
tree
2017-08-23
Mark Abrah
a
m
Stopped checkpoint inf
l
u
e
ncing parallelism
s
et
u
p
commit
|
commitdiff
|
tree
2017-08-22
Mark Abra
h
am
Run
G
PU dete
c
tion even for mdrun -nb cpu
commit
|
commitdiff
|
tree
2017-08-22
Mark Ab
r
aham
Fixed
t
hre
a
d-M
P
I w
i
th non-default -npme
commit
|
commitdiff
|
tree
2017-08-22
Mark A
b
raham
Fix mi
s
sing declaration of GMX_U
N
US
E
D
_VALUE
commit
|
commitdiff
|
tree
2017-08-22
Mark Abraham
Merge branch release-2016
commit
|
commitdiff
|
tree
2017-08-21
Mark Abraham
Move
d
increas
e
_
nstlist() to nbnxn_tuning
.
h
commit
|
commitdiff
|
tree
2017-08-21
Mar
k
Ab
r
a
h
am
Fi
x
c
ompila
t
i
on issues w
i
th ARM SIMD
commit
|
commitdiff
|
tree
2017-08-17
Mark Abr
a
h
a
m
Replace con
s
istency
c
heck
i
ng wi
t
h
a
ssertion
commit
|
commitdiff
|
tree
2017-08-16
Ma
r
k Abraham
Parse
user-suppl
i
ed
GPU
task assign
m
ent on
l
y wh
e
n neede
d
commit
|
commitdiff
|
tree
2017-08-16
Ma
r
k
A
braham
R
emove duplicate G
P
U non-usa
g
e hint
commit
|
commitdiff
|
tree
2017-08-16
Mark Abraham
M
o
v
e
d logging functionality
into
GPU usage report
commit
|
commitdiff
|
tree
2017-08-15
M
ark Abraham
Mer
g
e branch rele
a
s
e-5-1 into release-2016
commit
|
commitdiff
|
tree
2017-08-15
Mark Abraham
F
ix
v
a
lue of E
w
ald sh
i
f
t
commit
|
commitdiff
|
tree
2017-08-10
Mark
A
b
r
aham
Clarify data flow
in
G
PU task assignment
commit
|
commitdiff
|
tree
2017-08-07
Ma
r
k
A
braham
Fix
include depe
n
dency for getenv
commit
|
commitdiff
|
tree
2017-08-07
Mark Abraham
S
i
mp
l
ified
h
andling of GPU device IDs
commit
|
commitdiff
|
tree
2017-08-06
Mark Abraham
Simplify resourc
e
-
d
iv
i
sion efficienc
y
check
commit
|
commitdiff
|
tree
2017-08-06
Mark Abraham
S
p
l
it
printh
a
rdware from
detecthardware
commit
|
commitdiff
|
tree
2017-08-06
Mark Abraham
Decoupl
e
task ass
i
gn
m
e
nt from task ex
e
cution
commit
|
commitdiff
|
tree
2017-08-06
Mark A
b
raham
Removed unused host-side a
l
location code
commit
|
commitdiff
|
tree
2017-08-04
Mar
k
Abra
h
am
Stop u
s
i
n
g hwi
n
fo_g for repor
t
ing code
commit
|
commitdiff
|
tree
2017-08-03
Mark
Abr
a
h
a
m
R
e
mo
v
e
d
unus
e
d i
n
clude sta
t
e
ments
commit
|
commitdiff
|
tree
2017-08-01
Mark Abra
h
am
Introduced Mdrunner high-level
cl
a
ss
commit
|
commitdiff
|
tree
2017-07-27
Mark
A
braham
Enhance cmake and releng handling of GMX_USE_RDTSCP
commit
|
commitdiff
|
tree
2017-07-24
Mark
A
bra
h
am
S
eparat
e
d
responsibi
l
ity for consist
e
ncy che
c
king
commit
|
commitdiff
|
tree
2017-07-24
Mark Abr
a
ham
Remove unn
e
cessa
r
y GPU checking code
commit
|
commitdiff
|
tree
2017-07-20
M
a
rk Abrah
a
m
Cle
a
ned
u
p bUseG
p
u in runner
commit
|
commitdiff
|
tree
2017-07-20
Mark A
b
raha
m
S
t
op
d
u
plicate
prin
t
ing of
detect
e
d
GPUs
commit
|
commitdiff
|
tree
2017-07-20
M
a
rk Abraham
Fix use of GMX_SIMD in own-fftw build
commit
|
commitdiff
|
tree
2017-07-19
Mark Abraham
Made
post-submit co
n
fig
to test clang
+
openmp
.
commit
|
commitdiff
|
tree
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