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Merge branch release-2016 into release-2018
2017-12-12
Mark Abraha
m
Merge bra
n
ch release-2016 i
n
to releas
e
-
2018
commit
|
commitdiff
|
tree
2017-12-11
Mark
A
braham
Second beta rel
e
ase of
2018
commit
|
commitdiff
|
tree
2017-12-11
Mar
k
A
b
raham
Leave NVML use off by default
commit
|
commitdiff
|
tree
2017-12-11
Mark Abraham
Check for
GPU detection support
b
efore detectin
g
commit
|
commitdiff
|
tree
2017-12-11
M
a
rk Abraham
Consume any
error produced
d
uring GPU de
t
ect
i
on
commit
|
commitdiff
|
tree
2017-12-11
Mark
Abr
a
ham
Avoid si
g
n
ed-over
f
l
o
w warni
n
g with gcc
7
commit
|
commitdiff
|
tree
2017-12-11
Mar
k
A
b
raham
Remove SIM
D
sh
i
ft
operators
commit
|
commitdiff
|
tree
2017-12-08
Mark A
b
ra
h
am
Re
f
i
n
e ulp
t
olerances for some more ew
a
ld tests
commit
|
commitdiff
|
tree
2017-12-05
Ma
r
k Abraham
Fix md
r
un -nb auto -p
m
e
a
uto wh
e
n GPUs
a
re absen
t
commit
|
commitdiff
|
tree
2017-12-05
Mar
k
Abraham
Update testing to
include
c
make
3
.
10
.
0
commit
|
commitdiff
|
tree
2017-12-04
Mark Abr
a
h
am
Fix f
r
ee_gpu
commit
|
commitdiff
|
tree
2017-12-04
M
ark Ab
r
aham
Fix unus
e
d
variable
s
i
n CPU
p
runing kernels
commit
|
commitdiff
|
tree
2017-12-04
Mark A
b
r
a
h
am
M
e
rge branch
release-2016 in
t
o
release
-
2018
commit
|
commitdiff
|
tree
2017-12-03
Mark Abraham
Fix fft5
d
pinnin
g
commit
|
commitdiff
|
tree
2017-11-28
Ma
r
k
Ab
r
aha
m
GROMACS
2018
first
beta relea
s
e
commit
|
commitdiff
|
tree
2017-11-24
Mark Abraham
Update developer guide
commit
|
commitdiff
|
tree
2017-11-24
Mark Abraham
Acti
v
ate PME on GPUs
commit
|
commitdiff
|
tree
2017-11-24
Mark Abraham
S
e
p
arate man
a
g
e
ment of GPU conte
x
t
s
from modu
l
es
commit
|
commitdiff
|
tree
2017-11-24
Ma
r
k
Abraham
Add
PME integration
t
est
commit
|
commitdiff
|
tree
2017-11-24
Mark Abraham
Extend ta
s
k assig
n
m
ent
c
ode
commit
|
commitdiff
|
tree
2017-11-21
Mark Abr
a
ham
Use
m
uch l
e
ss Padd
e
dRV
e
cVector a
n
d
m
ore
ArrayRef of
.
.
.
commit
|
commitdiff
|
tree
2017-11-21
Mark Ab
r
aha
m
S
u
pport pinning in HostAllocator
commit
|
commitdiff
|
tree
2017-11-20
Mark Abraham
Fix nightly matrix c
o
n
f
ig
commit
|
commitdiff
|
tree
2017-11-19
M
a
rk Ab
r
aham
Fix FindCUDA
.
c
make for -Wundef
commit
|
commitdiff
|
tree
2017-11-17
Mark Abr
a
ham
U
s
e Host
A
llocati
o
n
P
olicy for c
h
a
rgeA
commit
|
commitdiff
|
tree
2017-11-17
Mark
A
bra
h
am
Add ch
e
cking func
t
i
on
f
o
r whether a buffer is pinne
d
commit
|
commitdiff
|
tree
2017-11-17
M
ark
A
braham
Impr
o
ve han
d
l
i
ng of PME
G
PU
force buffer
commit
|
commitdiff
|
tree
2017-11-10
M
a
rk Abr
a
h
a
m
Imp
o
rt cmake Module
s
/FindCU
D
A
.
cmake
commit
|
commitdiff
|
tree
2017-11-09
Mark Abraham
Prepa
r
ed t
_
mdatoms for using vector
commit
|
commitdiff
|
tree
2017-11-09
Mark Abraham
Intr
o
duc
e
HostAllocationPolicy
commit
|
commitdiff
|
tree
2017-11-07
Mark
A
braham
Reform g
m
x
_pme_
p
p
a
l
loc a
n
d us
e
vec
t
or
commit
|
commitdiff
|
tree
2017-11-07
Mark Abraham
Introduce g
m
xopencl
.
h
commit
|
commitdiff
|
tree
2017-11-07
Mark Abraham
Test cla
n
g on ARM in n
i
ghtly matrix
commit
|
commitdiff
|
tree
2017-11-07
Mark A
b
raham
Improve
P
M
E
i
ncludes
commit
|
commitdiff
|
tree
2017-11-03
Mark Abraham
Merge "Merge branch releas
e
-2016"
commit
|
commitdiff
|
tree
2017-11-02
Mark Abraham
Merge branch release-2016
commit
|
commitdiff
|
tree
2017-11-01
Mark Abraha
m
F
i
x t
h
read-MPI ran
k
ch
o
ice for
or
i
ent
a
t
i
on restrain
t
s
commit
|
commitdiff
|
tree
2017-11-01
M
ark Abraham
Im
p
ro
v
e hand
l
ing of GPU IDs
commit
|
commitdiff
|
tree
2017-10-31
Ma
r
k Abraha
m
Update tre
a
tme
n
t of GPU compatibility
data structure
commit
|
commitdiff
|
tree
2017-10-30
M
a
r
k Abraham
Fix and
u
pdate
hw_info
commit
|
commitdiff
|
tree
2017-10-27
Mark Abraha
m
F
i
x
h
w detectio
n
more
commit
|
commitdiff
|
tree
2017-10-26
Mark Abraham
Make
r
e
lease m
a
trix
work again
commit
|
commitdiff
|
tree
2017-10-26
M
a
rk Abraham
Ne
w
qu
o
te
commit
|
commitdiff
|
tree
2017-10-25
M
ark Ab
r
aham
Teach the
c
opyright checker about tem
p
l
a
te
.
cpp
commit
|
commitdiff
|
tree
2017-10-20
Mark
Abraham
C
larif
y
d
o
cs
for Fmax in
E
M
commit
|
commitdiff
|
tree
2017-10-20
Mark Abr
a
ham
Merge br
a
nch
r
e
leas
e
-2016
commit
|
commitdiff
|
tree
2017-10-16
Mark Abraham
Me
r
ge
b
ranch
r
e
l
e
ase-
2
016
commit
|
commitdiff
|
tree
2017-10-13
Mark Abraham
Update
tests fo
r
C
+
+11 compiler and
st
a
ndard li
b
rary
commit
|
commitdiff
|
tree
2017-10-13
Mark Abra
h
a
m
Fix cpuinfo
o
n
clang + non-x86
commit
|
commitdiff
|
tree
2017-10-11
Mark Abraham
Introduced header for comm
u
nicati
o
n
to/from
P
ME ranks
commit
|
commitdiff
|
tree
2017-10-11
Ma
r
k
Abrah
a
m
C
l
ean
e
d
u
p ewaldco
e
ff for PME-only ran
k
s
commit
|
commitdiff
|
tree
2017-10-11
Mar
k
Ab
r
ah
a
m
U
se clan
g
-5 in Jen
k
ins
commit
|
commitdiff
|
tree
2017-10-07
M
ark Abraham
Tell c
p
pcheck that
.
cp
p
a
nd
.
cu files are
c
++
commit
|
commitdiff
|
tree
2017-10-05
Mark Abraham
Continue
r
emoving -nb gpu_cpu
commit
|
commitdiff
|
tree
2017-10-04
Mar
k
A
braham
Enable
g
r
oup-schem
e
S
IMD with GMX_SIMD=AVX2_128
commit
|
commitdiff
|
tree
2017-10-03
Ma
r
k
Abraham
Introdu
c
e and use Alig
n
edAllocationPolic
y
commit
|
commitdiff
|
tree
2017-09-19
Mark Abraham
U
pdate tes
t
ing matric
e
s to test with (latest)
i
cc-18
commit
|
commitdiff
|
tree
2017-09-17
Mark
A
braham
Mer
g
e branch r
e
lease-201
6
commit
|
commitdiff
|
tree
2017-09-15
Mar
k
Abraham
Express inten
t
of matrix release build t
y
pes exp
l
icitly
commit
|
commitdiff
|
tree
2017-09-15
Mark Ab
r
aham
Bumped patch version
f
or ne
x
t release
commit
|
commitdiff
|
tree
2017-09-15
Mark Abraha
m
Ve
r
s
ion 2016
.
4
commit
|
commitdiff
|
tree
2017-09-14
M
a
r
k Abraham
F
orm taskassignment module
commit
|
commitdiff
|
tree
2017-09-14
M
ark Abraham
Fix
c
ompat module defi
n
ition
commit
|
commitdiff
|
tree
2017-09-12
Mark Abraham
Me
r
g
e
br
a
nch release-2016
commit
|
commitdiff
|
tree
2017-09-07
M
a
r
k
A
braham
I
ntroduce
t
ype-safe
GPU emu
l
a
t
ion variables
commit
|
commitdiff
|
tree
2017-09-07
Mar
k
Abr
a
ham
En
a
ble group-scheme SIMD
kerne
l
s o
n
recen
t
AVX exte
n
si
o
ns
commit
|
commitdiff
|
tree
2017-09-06
Mark
Abra
h
am
Prep
a
re Verle
t
s
c
he
m
e la
t
er
in runner
commit
|
commitdiff
|
tree
2017-09-05
Mark Ab
r
aham
Fixe
s
for Solaris
commit
|
commitdiff
|
tree
2017-09-05
M
ark Abra
h
am
Fix use of GPU inf
o
rmat
i
on f
o
r thr
e
a
d-MPI se
t
up
commit
|
commitdiff
|
tree
2017-09-03
Mark Ab
r
aham
Fi
x
compiler flag
s
for using MKL
commit
|
commitdiff
|
tree
2017-09-03
Mark Abraham
Merge bran
c
h release
-
5-1 in
t
o rele
a
se-2016
commit
|
commitdiff
|
tree
2017-08-25
Mark Abr
a
ha
m
Fix flat-bottomed position restraints wit
h
multiple
.
.
.
commit
|
commitdiff
|
tree
2017-08-23
Mark Abraham
Stopped checkpoint influe
n
c
i
n
g
parallelism setup
commit
|
commitdiff
|
tree
2017-08-22
Ma
r
k
Abraham
Run GPU detect
i
on even for m
d
r
un -nb cpu
commit
|
commitdiff
|
tree
2017-08-22
M
a
r
k Abraham
F
ixe
d
thread-MPI with non-default -npme
commit
|
commitdiff
|
tree
2017-08-22
Mark Abraha
m
Fix missing declaration of GMX_UNUSED_
V
ALUE
commit
|
commitdiff
|
tree
2017-08-22
Mark Abraham
Merge branch release-2016
commit
|
commitdiff
|
tree
2017-08-21
Mark Abraham
Moved
increase_nstl
i
st() to n
b
nx
n
_t
u
ning
.
h
commit
|
commitdiff
|
tree
2017-08-21
M
a
rk A
b
raham
Fix compilation issues with ARM SI
M
D
commit
|
commitdiff
|
tree
2017-08-17
Mark
A
braham
R
e
p
lace consistency ch
e
cking with assertio
n
commit
|
commitdiff
|
tree
2017-08-16
Mark A
b
raham
Parse user-supplied GPU task assignmen
t
only when nee
d
e
d
commit
|
commitdiff
|
tree
2017-08-16
Mark Abraham
R
emove
d
uplicate GPU
n
on-usage
hint
commit
|
commitdiff
|
tree
2017-08-16
Mark Abraham
Moved logging funct
i
onali
t
y into G
P
U
u
sag
e
rep
o
rt
commit
|
commitdiff
|
tree
2017-08-15
M
ark Abraham
Merge branch r
e
lease-5-1 in
t
o
releas
e
-2016
commit
|
commitdiff
|
tree
2017-08-15
Mar
k
Abraham
Fix
value of
E
w
a
ld
s
hift
commit
|
commitdiff
|
tree
2017-08-10
Mark Abraham
Clarify data flow in GPU
t
ask as
s
ignment
commit
|
commitdiff
|
tree
2017-08-07
Mark
Abraham
Fix include dependency for getenv
commit
|
commitdiff
|
tree
2017-08-07
M
a
rk Abra
h
am
Simplifie
d
handling of GPU device IDs
commit
|
commitdiff
|
tree
2017-08-06
Mark Abraha
m
S
i
mp
l
i
f
y
r
esource
-
division efficiency c
h
eck
commit
|
commitdiff
|
tree
2017-08-06
M
a
rk Ab
r
aham
S
p
l
i
t prin
t
har
d
ware from detecthardware
commit
|
commitdiff
|
tree
2017-08-06
Ma
r
k
Ab
r
a
h
am
Decouple task assignment from task execution
commit
|
commitdiff
|
tree
2017-08-06
Mark Abraham
Re
m
oved unused host-
s
ide allo
c
ation code
commit
|
commitdiff
|
tree
2017-08-04
Mark Abr
a
ham
S
t
op using hwinfo_g for repo
r
ting code
commit
|
commitdiff
|
tree
2017-08-03
Mark A
b
raham
Rem
o
ve
d
unus
e
d include statements
commit
|
commitdiff
|
tree
2017-08-01
M
a
rk
Abraham
Introduced Mdrunner hig
h
-level class
commit
|
commitdiff
|
tree
2017-07-27
Mark Abraham
Enhanc
e
c
m
a
ke and
releng ha
n
dling
o
f
GMX_USE_RDT
S
CP
commit
|
commitdiff
|
tree
2017-07-24
Mark
Abraham
S
e
parat
e
d responsibil
i
ty for cons
i
stency checkin
g
commit
|
commitdiff
|
tree
2017-07-24
Mark
A
braham
Remove unnecessary GPU checking code
commit
|
commitdiff
|
tree
2017-07-20
Mark Abrah
a
m
C
leane
d
up bUseGpu in ru
n
ne
r
commit
|
commitdiff
|
tree
2017-07-20
Mar
k
A
braham
Stop du
p
l
i
cate print
i
n
g
of detected
GPUs
commit
|
commitdiff
|
tree
next