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Add helper function to make a vector from an ArrayRef
2017-12-08
Ma
r
k Abraham
Refine ulp
tole
r
a
n
c
e
s for so
m
e more ewald tests
commit
|
commitdiff
|
tree
2017-12-05
Mark Abrah
a
m
Fix mdrun -nb auto
-
pme auto
when GPUs a
r
e absent
commit
|
commitdiff
|
tree
2017-12-05
Mark Abraham
Update testing to include
cmake 3
.
10
.
0
commit
|
commitdiff
|
tree
2017-12-04
M
a
r
k Abraham
Fix free_gpu
commit
|
commitdiff
|
tree
2017-12-04
Mar
k
Abraham
Fix unus
e
d variable
s
i
n
CPU pruning kernels
commit
|
commitdiff
|
tree
2017-12-04
Mark Abraham
Merge branch release-2016 in
t
o
release-
2
0
18
commit
|
commitdiff
|
tree
2017-12-03
Mark Abraham
Fix fft5d pin
n
ing
commit
|
commitdiff
|
tree
2017-11-28
Mark A
b
r
a
ham
GRO
M
ACS 2018
first beta rele
a
s
e
commit
|
commitdiff
|
tree
2017-11-24
Mark
A
braham
Update developer guide
commit
|
commitdiff
|
tree
2017-11-24
Mark Abr
a
ha
m
A
c
tivate PME on
GPUs
commit
|
commitdiff
|
tree
2017-11-24
Mark Abra
h
a
m
Separat
e
ma
n
a
g
ement of GPU con
t
exts fro
m
m
od
u
les
commit
|
commitdiff
|
tree
2017-11-24
Mark
Abrah
a
m
Add PME integration
t
est
commit
|
commitdiff
|
tree
2017-11-24
Mark A
b
ra
h
am
Extend task assignme
n
t cod
e
commit
|
commitdiff
|
tree
2017-11-21
Mark Abraham
Us
e
m
u
ch le
s
s
Pad
d
edR
V
ecVector
a
nd more ArrayRef of
.
.
.
commit
|
commitdiff
|
tree
2017-11-21
Mark
Ab
r
aham
Support pinn
i
n
g
i
n
H
ostAllocato
r
commit
|
commitdiff
|
tree
2017-11-20
M
a
r
k
Abraham
F
i
x night
l
y
matrix config
commit
|
commitdiff
|
tree
2017-11-19
Mark Abraham
Fix Find
C
UDA
.
cm
a
ke for -Wun
d
ef
commit
|
commitdiff
|
tree
2017-11-17
Mark Ab
r
aham
Us
e
HostAllo
c
ation
P
olicy for charg
e
A
commit
|
commitdiff
|
tree
2017-11-17
Mark Abraham
Add c
h
ecking function for whethe
r
a buffer is pinned
commit
|
commitdiff
|
tree
2017-11-17
M
a
r
k Abraham
Improv
e
handli
n
g of PME GPU
forc
e
buffer
commit
|
commitdiff
|
tree
2017-11-10
Mark A
b
raham
Import cmake Modu
l
es/FindCUDA
.
cmake
commit
|
commitdiff
|
tree
2017-11-09
Mark Abr
a
ham
Prep
a
red t_mda
t
oms for u
s
in
g
vector
commit
|
commitdiff
|
tree
2017-11-09
Mark A
b
raham
Introd
u
ce Host
A
llocatio
n
Policy
commit
|
commitdiff
|
tree
2017-11-07
M
a
rk Abraham
Ref
o
rm gmx_p
m
e_pp alloc
a
n
d use vector
commit
|
commitdiff
|
tree
2017-11-07
Mar
k
A
br
a
ham
Introduce gmxopencl
.
h
commit
|
commitdiff
|
tree
2017-11-07
M
ark
A
braham
Test clan
g
on ARM in ni
g
htly matrix
commit
|
commitdiff
|
tree
2017-11-07
Mark Abraham
Improve PME inc
l
udes
commit
|
commitdiff
|
tree
2017-11-03
Mark Abraham
M
e
rge "Merge bran
c
h r
e
lease-2016"
commit
|
commitdiff
|
tree
2017-11-02
Mark Abraham
M
e
r
ge branch re
l
ease-2016
commit
|
commitdiff
|
tree
2017-11-01
M
ark Ab
r
aham
Fix thre
a
d-MP
I
rank
c
h
oice
f
or orientati
o
n
r
estr
a
ints
commit
|
commitdiff
|
tree
2017-11-01
Mark Abr
a
ham
Improve h
a
ndling of GP
U
I
D
s
commit
|
commitdiff
|
tree
2017-10-31
Mark A
b
r
a
ham
Up
d
ate tre
a
tment of GPU compatibil
i
ty data structure
commit
|
commitdiff
|
tree
2017-10-30
M
ark A
b
r
aham
Fix and update h
w
_inf
o
commit
|
commitdiff
|
tree
2017-10-27
Ma
r
k Ab
r
aham
Fix hw det
e
c
tion more
commit
|
commitdiff
|
tree
2017-10-26
Mark Ab
r
a
ha
m
Make r
e
l
e
ase mat
r
ix work again
commit
|
commitdiff
|
tree
2017-10-26
M
a
rk Abrah
a
m
New quot
e
commit
|
commitdiff
|
tree
2017-10-25
Mark Abraham
Teach the
c
opyri
g
ht
c
heck
e
r ab
o
ut te
m
plate
.
c
p
p
commit
|
commitdiff
|
tree
2017-10-20
Mark Abr
a
ham
Clarify docs for Fmax
i
n EM
commit
|
commitdiff
|
tree
2017-10-20
Mark A
b
rah
a
m
Merge
br
a
nch rel
e
a
se-201
6
commit
|
commitdiff
|
tree
2017-10-16
Mark Abraham
Merge b
r
anch release-2016
commit
|
commitdiff
|
tree
2017-10-13
Mark Abraham
Upd
a
te tests for
C++11 com
p
iler
and sta
n
d
a
r
d library
commit
|
commitdiff
|
tree
2017-10-13
Mark
Abraham
Fix
c
p
u
info
o
n clang + non
-
x
8
6
commit
|
commitdiff
|
tree
2017-10-11
Mark Abraham
Int
r
o
d
u
ced header for
communication to/from PME ranks
commit
|
commitdiff
|
tree
2017-10-11
Mark
A
braham
C
l
e
a
n
ed up
ewald
c
oeff for
P
ME-only ranks
commit
|
commitdiff
|
tree
2017-10-11
Ma
r
k Abraham
Use clang-5
in Jenk
i
ns
commit
|
commitdiff
|
tree
2017-10-07
Mark
A
braha
m
T
e
l
l
cpp
c
heck that
.
cpp and
.
cu files
a
re c++
commit
|
commitdiff
|
tree
2017-10-05
Mark Abraham
Continue rem
o
vi
n
g
-
nb
g
pu_cpu
commit
|
commitdiff
|
tree
2017-10-04
Mark Abrah
a
m
Enable g
r
oup-s
c
heme
SIMD w
i
th
GMX_SIMD=A
V
X2_
1
28
commit
|
commitdiff
|
tree
2017-10-03
Mark A
b
raha
m
Introdu
c
e and u
s
e AlignedAllocati
o
nP
o
l
icy
commit
|
commitdiff
|
tree
2017-09-19
Mark
Abrah
a
m
Update testing matrices to test with (latest) icc-18
commit
|
commitdiff
|
tree
2017-09-17
Mark Abraham
Merge
branch release-2016
commit
|
commitdiff
|
tree
2017-09-15
Mark Abraham
Expr
e
ss intent of m
a
tri
x
release build type
s
ex
p
licit
l
y
commit
|
commitdiff
|
tree
2017-09-15
Mark
A
braham
Bumped patch version
f
or
n
ex
t
re
l
ease
commit
|
commitdiff
|
tree
2017-09-15
Mar
k
A
braham
Ve
r
s
ion
2
01
6
.
4
commit
|
commitdiff
|
tree
2017-09-14
Mark Abraham
Form t
a
s
kassig
n
ment module
commit
|
commitdiff
|
tree
2017-09-14
M
a
rk Abrah
a
m
Fix compat
m
odule d
e
fini
t
i
o
n
commit
|
commitdiff
|
tree
2017-09-12
Mark Abra
h
am
Merge branch rele
a
se-2016
commit
|
commitdiff
|
tree
2017-09-07
M
ark
Ab
r
aham
Introduce
type-sa
f
e
GPU emula
t
i
o
n
v
ariab
l
e
s
commit
|
commitdiff
|
tree
2017-09-07
Mark Abraham
Enabl
e
group-scheme SIMD kernel
s
on
r
e
cent A
V
X ext
e
n
s
ion
s
commit
|
commitdiff
|
tree
2017-09-06
Mark
Abraham
P
repa
r
e Verle
t
s
cheme later in runner
commit
|
commitdiff
|
tree
2017-09-05
Ma
r
k Abraham
Fixes for
Solaris
commit
|
commitdiff
|
tree
2017-09-05
Mark Abraham
Fix use of GPU information for
t
hread-MPI setup
commit
|
commitdiff
|
tree
2017-09-03
Mark Ab
r
a
ham
Fix c
o
mpiler fla
g
s for
u
sing MKL
commit
|
commitdiff
|
tree
2017-09-03
Mark Abr
a
ham
M
e
rge b
r
anch releas
e
-5-1 into r
e
lease-20
1
6
commit
|
commitdiff
|
tree
2017-08-25
Mar
k
Abraham
Fix flat-bottomed position
restraints wit
h
multiple
.
.
.
commit
|
commitdiff
|
tree
2017-08-23
Mark Ab
r
a
h
am
S
t
opped checkpoint influencing parallelism se
t
up
commit
|
commitdiff
|
tree
2017-08-22
Mark Abraham
Run
G
PU d
e
te
c
tion
even for md
r
un -nb cpu
commit
|
commitdiff
|
tree
2017-08-22
Mar
k
Abraha
m
F
i
x
e
d thread-MP
I
wit
h
n
o
n
-default
-npme
commit
|
commitdiff
|
tree
2017-08-22
Mark Abraham
Fi
x
missing declarati
o
n of
GMX_UNU
S
E
D
_VALUE
commit
|
commitdiff
|
tree
2017-08-22
Mark A
b
raham
Merge br
a
nch relea
s
e
-
2016
commit
|
commitdiff
|
tree
2017-08-21
Mar
k
Ab
r
aha
m
Mo
v
ed increas
e
_n
s
tlist() to nbnxn_tuning
.
h
commit
|
commitdiff
|
tree
2017-08-21
Mark Abr
a
ham
Fix compilatio
n
issues with ARM S
I
MD
commit
|
commitdiff
|
tree
2017-08-17
Mar
k
Abraham
R
e
plac
e
c
o
nsistency checking with as
s
er
t
ion
commit
|
commitdiff
|
tree
2017-08-16
Mark
Abraham
Parse user-su
p
p
l
ied
GPU task assignment on
l
y when needed
commit
|
commitdiff
|
tree
2017-08-16
Mark A
b
raham
R
emove d
u
plicate GPU non-u
s
ag
e
h
int
commit
|
commitdiff
|
tree
2017-08-16
Mark Abraha
m
M
o
ved logging
func
t
i
onality into GPU usage
r
ep
o
r
t
commit
|
commitdiff
|
tree
2017-08-15
M
a
rk
Abraham
Merge branch releas
e
-5-1 into release-
2
0
1
6
commit
|
commitdiff
|
tree
2017-08-15
Mark
A
braham
F
ix va
l
u
e o
f
E
wald shift
commit
|
commitdiff
|
tree
2017-08-10
Mar
k
Abraham
Cl
a
rify data flow
in
G
PU task a
s
signm
e
nt
commit
|
commitdiff
|
tree
2017-08-07
M
a
rk Ab
r
aham
Fix
include de
p
e
n
dency for getenv
commit
|
commitdiff
|
tree
2017-08-07
M
a
rk Abraham
S
i
mplified handling of GPU device
I
D
s
commit
|
commitdiff
|
tree
2017-08-06
Mark Abraham
Simplify
resource
-
divis
i
on
eff
i
ciency check
commit
|
commitdiff
|
tree
2017-08-06
M
a
r
k
Abra
h
am
Split print
h
ardware
from detecthardware
commit
|
commitdiff
|
tree
2017-08-06
Mark A
b
raham
Decouple task assig
n
ment fro
m
task execut
i
o
n
commit
|
commitdiff
|
tree
2017-08-06
Mark Abraham
Removed unused host-side allo
c
a
t
i
on code
commit
|
commitdiff
|
tree
2017-08-04
Mark Ab
r
aham
Stop using hwinfo_g for re
p
orting code
commit
|
commitdiff
|
tree
2017-08-03
Ma
r
k
Abrah
a
m
Remove
d
unused i
n
clude statement
s
commit
|
commitdiff
|
tree
2017-08-01
M
a
r
k
Abr
a
ham
Introduced Mdrunner
h
igh-le
v
el class
commit
|
commitdiff
|
tree
2017-07-27
Mar
k
A
brah
a
m
Enhance cmake
and releng h
a
ndling of GMX_USE_
R
DTSCP
commit
|
commitdiff
|
tree
2017-07-24
Mark Ab
r
aham
S
e
parated respo
n
sibi
l
ity for consistency
c
hecking
commit
|
commitdiff
|
tree
2017-07-24
Ma
r
k Abraham
Rem
o
ve unnece
s
sary G
P
U
checking code
commit
|
commitdiff
|
tree
2017-07-20
M
a
rk Abrah
a
m
Cle
a
ned up bUseGpu in
r
u
nn
e
r
commit
|
commitdiff
|
tree
2017-07-20
Ma
r
k
Ab
r
aham
Stop duplic
a
te pri
n
t
i
n
g
of det
e
c
ted GPUs
commit
|
commitdiff
|
tree
2017-07-20
Mark A
b
ra
h
am
Fix use of
GMX_SIMD in own-fftw build
commit
|
commitdiff
|
tree
2017-07-19
Mark
A
braham
Made
p
os
t
-submit conf
i
g to test clang+openmp
.
commit
|
commitdiff
|
tree
2017-07-19
M
a
rk Ab
r
aham
I
mprove
CMake
i
mplementation f
o
r
GMX_SIMD
commit
|
commitdiff
|
tree
2017-07-18
Mark
Abr
a
ham
Convert
e
d
some
const
p
ointers int
o
const references
.
.
.
commit
|
commitdiff
|
tree
2017-07-18
Mark
A
b
r
aham
Eliminated pic
k
_
n
bnxn_res
o
u
r
ce
s
commit
|
commitdiff
|
tree
2017-07-14
Mark Abraham
Implem
e
nted grompp -po for option
s
-styl
e
m
d
p handli
n
g
commit
|
commitdiff
|
tree
2017-07-14
Mark Abr
a
ham
C
l
e
an up cmake b
u
ild
h
o
st detectio
n
commit
|
commitdiff
|
tree
next