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Update PME CUDA spread/gather
2019-10-30
Jo
n
ath
a
n Vincent
Up
d
ate PME CUDA s
p
read
/
g
a
ther
commit
|
commitdiff
|
tree
2019-10-29
A
r
t
e
m Zhmurov
Sw
i
tc
h
t
he GPU
buffer ops on
w
h
e
n update is on
GPU
commit
|
commitdiff
|
tree
2019-10-28
Artem Zhm
u
r
o
v
Fix miss
i
ng coordinate D2H c
o
p
y
with G
P
U update and
.
.
.
commit
|
commitdiff
|
tree
2019-10-28
A
rtem Zhmu
r
ov
Add ha
v
eCp
u
L
o
calForces flag to
DomainLif
e
timeW
o
rkload
commit
|
commitdiff
|
tree
2019-10-28
Art
e
m Zhmurov
Allow using updat
e
flag
commit
|
commitdiff
|
tree
2019-10-22
Ar
t
em Zhmurov
Remove unnecessary CU
D
A stream synchronization
calls
commit
|
commitdiff
|
tree
2019-10-22
Artem Zhmurov
R
ena
m
e
h
avePositionRestrain
t
s(
.
.
.
) to haveRes
t
r
aint
s
.
.
.
commit
|
commitdiff
|
tree
2019-10-21
S
z
ilárd Páll
Rem
o
ve unsupport
e
d configs from t
h
e gpuu
p
date matrix
commit
|
commitdiff
|
tree
2019-10-21
A
l
a
n
Gray
GPU Coordina
t
e PME/PP Co
m
m
u
nicati
o
ns
commit
|
commitdiff
|
tree
2019-10-18
Alan
Gr
a
y
GPU Receive for PME/PP GPU Force Co
m
muni
c
ations
commit
|
commitdiff
|
tree
2019-10-18
Paul B
a
uer
Use cl
a
ng-tidy-8
commit
|
commitdiff
|
tree
2019-10-17
Szilárd Páll
Fix clang-
t
idy
w
a
rnings
in gpuha
l
o
e
xchange_
i
mpl
.
cuh
commit
|
commitdiff
|
tree
2019-10-15
Sz
i
lárd P
á
ll
Tri
g
ger syn
c
hro
n
izer
when loca
l
forces are
r
eady
commit
|
commitdiff
|
tree
2019-10-15
Artem
Z
hmurov
Fi
x
the single-GPU update-constrai
n
ts
commit
|
commitdiff
|
tree
2019-10-10
Szilá
r
d
Páll
Fix
c
ondi
t
i
ons
for bui
l
di
n
g StatePr
o
p
a
gatorDataGp
u
commit
|
commitdiff
|
tree
2019-10-10
Szilárd Pál
l
Construct a str
u
ct with
dev
e
lopment feature flags
commit
|
commitdiff
|
tree
2019-10-03
Berk Hess
Fi
x
G
P
U atom d
a
ta init timer is
s
ue
commit
|
commitdiff
|
tree
2019-10-02
Ar
t
e
m
Zhmuro
v
Eliminate D2D copy in update co
n
st
r
ai
n
t
s
commit
|
commitdiff
|
tree
2019-09-25
S
z
ilárd P
á
ll
Merge remo
t
e-tracking branch 'orig
i
n/release-2019'
commit
|
commitdiff
|
tree
2019-09-18
Szilárd Páll
Set up w
o
rkload data
st
r
u
c
ture
s
commit
|
commitdiff
|
tree
2019-09-18
Paul Bauer
Fix MSVC warning
commit
|
commitdiff
|
tree
2019-09-17
Paul Bau
e
r
A
d
d dep
r
ecat
i
o
n
note
f
or 32 b
i
t
commit
|
commitdiff
|
tree
2019-09-16
Sz
i
lárd Pál
l
R
e
f
ac
t
or
GPU buf op
s
-
rela
t
e
d la
u
nches
in d
o
_f
o
rce(
)
commit
|
commitdiff
|
tree
2019-09-13
S
z
ilárd
Pá
l
l
F
ix GPU X buffer ops with empty
d
omai
n
commit
|
commitdiff
|
tree
2019-09-11
Arte
m
Zh
m
urov
Decouple
coordinates
b
u
ffe
r
management f
r
om
b
uffer
.
.
.
commit
|
commitdiff
|
tree
2019-09-11
Arte
m
Zhm
u
r
ov
Reo
r
ganize
PM
E
code:
commit
|
commitdiff
|
tree
2019-09-11
Szilár
d
Páll
F
i
x gpucomm matrix
commit
|
commitdiff
|
tree
2019-09-06
Mark Abraham
Clean
up commrec
u
nif
o
rm
l
y
commit
|
commitdiff
|
tree
2019-09-04
B
e
rk Hess
Co
l
lect settings for DD
i
n DDS
e
t
tings
commit
|
commitdiff
|
tree
2019-09-03
B
e
rk
H
ess
Remov
e
gmx_domdec_t fro
m
dd
_
c
hoose
_
grid()
commit
|
commitdiff
|
tree
2019-09-03
Berk Hess
E
x
ta
c
t UnitCellI
n
fo from gm
x
_domde
c
_t
commit
|
commitdiff
|
tree
2019-09-02
M
a
rk A
b
raham
Move in
i
tia
l
i
zation of clFFT
commit
|
commitdiff
|
tree
2019-08-26
Mark
A
b
raham
Converted a CUDA conf
i
g to use clan
g
ho
s
t-
o
nl
y
compi
l
ation
commit
|
commitdiff
|
tree
2019-08-23
Szilá
r
d Pá
l
l
F
i
x clang
t
idy warnings in CUDA build
commit
|
commitdiff
|
tree
2019-08-21
Mark
A
bra
h
a
m
Im
p
r
o
v
e
organizatio
n
of
LINCS reporting
commit
|
commitdiff
|
tree
2019-08-15
Alan Gray
P
ME
reduction
f
or CUDA
F bu
f
fer operations
commit
|
commitdiff
|
tree
2019-08-12
Szilárd Páll
Fix hwloc find
p
a
c
kage naming and quietness issues
commit
|
commitdiff
|
tree
2019-07-26
Berk H
e
ss
R
e
move sh_invrc6
f
rom inter
a
ction_
c
onst_t
commit
|
commitdiff
|
tree
2019-07-19
Alan Gray
F bu
f
f
er
o
p
e
rati
o
ns in CUDA
commit
|
commitdiff
|
tree
2019-07-16
Mark Ab
r
aham
Add gpubufferops test matri
x
commit
|
commitdiff
|
tree
2019-07-11
Sz
i
lárd Páll
Use Ho
s
tVector for Grid/GridSet data n
e
ed on-GPU
commit
|
commitdiff
|
tree
2019-07-04
Szilárd Páll
B
ump lat
e
s
t
CUDA + gcc
in the pre-su
b
mit
matrix
commit
|
commitdiff
|
tree
2019-07-04
Szilárd Pál
l
Fix a -Wformat-truncatio
n
w
a
r
ning
in tng
commit
|
commitdiff
|
tree
2019-07-01
A
l
an G
r
ay
Bug
f
i
x
and simplification f
o
r C
U
DA X Buffer Ops
commit
|
commitdiff
|
tree
2019-06-17
Be
r
k Hess
Simplify GPU nbnx
m
x con
v
ersi
o
n
commit
|
commitdiff
|
tree
2019-05-22
A
l
an Gray
Code qua
l
ity improve
m
ents
f
or CUDA p
o
sition b
u
f
f
er
o
ps
commit
|
commitdiff
|
tree
2019-05-20
Szilárd Páll
Imp
r
ove X buffer
ops kernel
commit
|
commitdiff
|
tree
2019-05-10
Alan Gray
Position buf
f
er op
s
in CUDA
commit
|
commitdiff
|
tree
2019-03-27
Berk Hess
Fix nbnxm
OpenCL with cluster size 4
commit
|
commitdiff
|
tree
2019-02-07
Szilárd Pá
l
l
Require a 64-bit platform for OpenCL
commit
|
commitdiff
|
tree
2019-01-18
Mark Abraham
Improve nvcc error reporting
commit
|
commitdiff
|
tree
2019-01-02
Szilárd
Páll
F
i
x clang 6 warning
commit
|
commitdiff
|
tree
2018-12-31
Szilárd
P
áll
Fix release notes typo
commit
|
commitdiff
|
tree
2018-12-20
Szilárd Pá
l
l
Me
r
g
e
"Merge
b
ran
c
h
r
ele
a
se-2018 into release-2
0
1
9
.
.
.
commit
|
commitdiff
|
tree
2018-12-18
Szilárd
Páll
Merge release-2019
b
ra
n
ch in
t
o maste
r
commit
|
commitdiff
|
tree
2018-12-18
Berk
Hess
Use s
t
d
::vector
i
n
LINCS
commit
|
commitdiff
|
tree
2018-12-17
Szilárd P
á
ll
Fi
x
GMX_BUILD_OWN_FFTW
_
URL CMake cache ent
r
y
type
commit
|
commitdiff
|
tree
2018-12-17
P
aul Bauer
A
d
d matrix entry to
t
e
st ex
t
e
r
n
a
l
FFTW build
commit
|
commitdiff
|
tree
2018-12-17
Pau
l
Bauer
Fix FFTW build
commit
|
commitdiff
|
tree
2018-12-13
Sz
i
lárd Páll
Avoid s
p
uri
o
us timing in
bo
n
ded G
P
U lau
n
ch s
u
bcount
e
r
commit
|
commitdiff
|
tree
2018-11-26
Mark Abraham
Clean up
i
nitial log output
commit
|
commitdiff
|
tree
2018-11-22
Mark Abraha
m
Introduce
P
pForceWo
r
kload
commit
|
commitdiff
|
tree
2018-11-07
Szilárd Páll
Re-enable the armcla
n
g post-submit bu
i
ld
commit
|
commitdiff
|
tree
2018-11-07
Mark Abrah
a
m
Su
p
press
c
lang
warnings abou
t
QMMM code
commit
|
commitdiff
|
tree
2018-11-01
Mark Abraham
Stop using hw
l
oc on old ARM
s
lave
commit
|
commitdiff
|
tree
2018-10-31
Be
r
k Hess
P
i
n impor
t
ant
buf
f
e
r
s in CUDA bond
e
ds
commit
|
commitdiff
|
tree
2018-10-22
Mar
k
Abraham
Fix
c
lang CUDA
w
arn
i
ngs
commit
|
commitdiff
|
tree
2018-10-14
Szilárd Pá
l
l
Fix more clang-6 w
a
rnings in CUDA code
commit
|
commitdiff
|
tree
2018-10-08
R
o
lan
d
Sc
h
ul
z
Fi
x
OCL compile
r
wa
r
nings
commit
|
commitdiff
|
tree
2018-10-08
Rola
n
d Schulz
Remove major
i
t
y
of OCL com
m
a
n
d
line const
a
nts
commit
|
commitdiff
|
tree
2018-10-07
Szilárd Páll
Use new GPU slav
e
for AMD OpenCL ve
r
i
f
y r
u
n
s
commit
|
commitdiff
|
tree
2018-10-05
Rola
n
d Schu
l
z
Fix multiple
b
ugs det
e
cted on Window
s
commit
|
commitdiff
|
tree
2018-10-04
Roland Schulz
Use
s
ubgrou
p
for warp_any
a
nd CJ4 prefet
c
h
commit
|
commitdiff
|
tree
2018-10-04
M
ark Abrah
a
m
Replace CUDA
call de
p
recat
e
d in CUDA
1
0
commit
|
commitdiff
|
tree
2018-09-27
R
o
l
and Schulz
Recognize Intel GP
U
as compatible
commit
|
commitdiff
|
tree
2018-09-13
Roland Schu
l
z
Rem
o
ve sparc64_hpc_ace nonbon
d
ed kernels
commit
|
commitdiff
|
tree
2018-09-07
M
a
rk Abraham
Mi
n
o
r
fixes to
GPU
b
uild
system
commit
|
commitdiff
|
tree
2018-08-27
Alek
s
ei Iupino
v
Prepare pm
e
-gpu-types
.
h for O
p
e
nCL
commit
|
commitdiff
|
tree
2018-08-21
S
zilárd Páll
Re
q
uest flush
i
ng denorms to zero i
n
OpenCL
commit
|
commitdiff
|
tree
2018-06-25
A
l
ek
s
ei Iupinov
Mo
v
e vec
t
ype_ops
.
clh in
t
o gpu_
u
t
i
ls
commit
|
commitdiff
|
tree
2018-06-25
Alekse
i
I
up
i
nov
Move the PME GPU kernel launch f
u
nctions into pme
-
gpu
.
.
.
commit
|
commitdiff
|
tree
2018-05-31
Aleksei Iupino
v
PME OpenC
L
3D
F
FT
transform is im
p
lemented, using clFFT
commit
|
commitdiff
|
tree
2018-05-30
Alekse
i
I
u
p
inov
Make P
M
E GPU struc
t
u
res use
D
evic
e
Buffer
commit
|
commitdiff
|
tree
2018-05-29
Szilár
d
Páll
Switch
t
o
CUDA 9
.
2 + g
c
c 7
commit
|
commitdiff
|
tree
2018-04-20
Szilárd Páll
Minor
f
i
x for pr
e
-subm
i
t
matrix docs
commit
|
commitdiff
|
tree
2018-04-19
Szilárd Páll
Move t
h
e PME GPU
c
lea
r
ing to
the end
of
t
he step
commit
|
commitdiff
|
tree
2018-04-18
Mark
Abraham
Introd
u
c
e gmx_u
s
ed_in_deb
u
g
commit
|
commitdiff
|
tree
2018-04-13
S
z
ilárd Pál
l
U
s
e
trivalu
e
o
p
t
ion fo
r
GMX_HW
L
OC
commit
|
commitdiff
|
tree
2018-03-20
Vedran Mil
e
ti
ć
Document matrix_convert functi
o
n
in PBC
commit
|
commitdiff
|
tree
2018-03-12
S
z
ilárd Páll
Avoi
d
icc-specific -march=
c
ore-avx2 flag with gcc/clang
commit
|
commitdiff
|
tree
2018-03-06
Szilárd Pá
l
l
Ext
e
nd "Finding out ho
w
to run md
r
un bet
t
er" section
commit
|
commitdiff
|
tree
2018-03-06
Al
e
ksei Iupino
v
I
solate PME GPU spline
p
ara
m
eter indexing in inline
.
.
.
commit
|
commitdiff
|
tree
2018-03-05
Aleks
e
i Iupinov
Stop using custo
m
Fi
n
dOpenCL
.
cmake,
per T
O
D
O
commit
|
commitdiff
|
tree
2018-03-05
A
l
eksei Iupin
o
v
Cor
r
ect the nbnxn
_
gpu_compile
_
kernels() docs
commit
|
commitdiff
|
tree
2018-02-21
Szilárd
P
áll
Switch pre-subm
i
t CUDA
8
.
0 te
s
t to 9
.
0
commit
|
commitdiff
|
tree
2018-02-20
Szilá
r
d Páll
A
v
oi
d
aborting mdrun
when GPU sanit
y
c
h
eck detects
.
.
.
commit
|
commitdiff
|
tree
2018-02-18
Al
e
ksei Iupinov
Replace *_f
r
ee_buffered calls by freeD
e
viceBuffer
commit
|
commitdiff
|
tree
2018-02-15
Aleksei
Iupinov
Add
f
re
e
DeviceBuffer
G
P
U u
t
i
lity funct
i
on
commit
|
commitdiff
|
tree
2018-01-18
M
a
rk Abraham
B
u
mp version
n
umbe
r
s f
o
r 2019 de
v
elopment
commit
|
commitdiff
|
tree
2017-11-27
Ber
k
Hess
E
nable
a
u
to thread pinning
w
i
t
h
t
hre
a
d limiting
commit
|
commitdiff
|
tree
next