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Fixed typo in GMXRC.csh.cmakein
2020-02-15
Szilárd
P
á
l
l
Fix g
p
u
udpate
a
nd gpucomm
m
at
r
i
x
d
o
cs
commit
|
commitdiff
|
tree
2020-02-11
Szilá
r
d Páll
F
ix incorrect GPU update task
assignm
e
n
t
fallb
a
ck
commit
|
commitdiff
|
tree
2020-02-10
Szilárd Páll
Avoid dev flags in triggering gpuupdate ni
g
htly mat
r
ix
commit
|
commitdiff
|
tree
2020-02-10
Szilárd Páll
Avoid (re)initializing GPU
u
pdate wi
t
h
out
D
D
commit
|
commitdiff
|
tree
2020-01-24
Szilárd Páll
Fix deadlock in PP-PME
balancing
s
tartup delay
commit
|
commitdiff
|
tree
2020-01-16
S
zilárd Páll
F
ix PME run
mode without PM
E
commit
|
commitdiff
|
tree
2020-01-10
Szilárd
Páll
Improv
e
mdrun
perfor
m
ance u
s
er gui
d
e
commit
|
commitdiff
|
tree
2019-12-20
Szilárd
P
á
l
l
Enable
b
uffer ops when GMX_GPU_DD_COMMS is set
commit
|
commitdiff
|
tree
2019-12-19
Szilárd Páll
P
P
-PME load balancing improvements
commit
|
commitdiff
|
tree
2019-12-18
Szilá
r
d Páll
A
llow x D2H to overlap with GPU force
c
ompute
commit
|
commitdiff
|
tree
2019-12-17
Szilárd Páll
C
o
m
ment the u
s
e of waitCoor
d
inatesCop
i
edToDevice
commit
|
commitdiff
|
tree
2019-12-17
Szil
á
rd Pá
l
l
Add wallcycle counting to S
t
atePr
o
pagator
D
ataGpu
commit
|
commitdiff
|
tree
2019-12-16
Sz
i
lárd Páll
Fix the GPU
b
onded stre
a
m with 1 PP + 1 PM
E
r
ank
commit
|
commitdiff
|
tree
2019-12-12
Szil
á
rd
P
áll
Allo
w
overlapping CPU force H2D with compute
commit
|
commitdiff
|
tree
2019-11-17
Szilárd
P
á
ll
T
r
igger ocl_nbnxm_kernels target wit
h
clang-tid
y
commit
|
commitdiff
|
tree
2019-11-17
S
z
ilárd
P
áll
Fix cla
n
g-tidy 8
warnings
in Op
e
nCL nbnxm
kernels
commit
|
commitdiff
|
tree
2019-11-03
Szilárd Páll
Improve SimulationWorkload
d
o
xy
g
en
commit
|
commitdiff
|
tree
2019-11-01
Szilárd
Páll
Re
n
ame r
e
ference chec
k
sum generating targe
t
commit
|
commitdiff
|
tree
2019-11-01
Szilárd Páll
Use "
-
"
in checksum-related versio
n
suffix
commit
|
commitdiff
|
tree
2019-11-01
Szilárd Páll
Improve workloa
d
data structures' docs
commit
|
commitdiff
|
tree
2019-10-28
Szilár
d
P
á
ll
Extend S
i
mu
l
ationWorkload with CPU flags
commit
|
commitdiff
|
tree
2019-10-21
S
z
ilárd Páll
R
e
move unsupporte
d
configs fr
o
m the gpuupdate m
a
trix
commit
|
commitdiff
|
tree
2019-10-21
Szi
l
árd Páll
O
verride GMX
_
GPU_DD_COM
M
S
i
f nonbondeds are
o
f
f
commit
|
commitdiff
|
tree
2019-10-18
Szilá
r
d Páll
Add strict asser
t
ions on x synchro
n
i
zer in PME
commit
|
commitdiff
|
tree
2019-10-18
Szilárd Páll
F
ix
g
enion clan
g
-
8 wa
r
nin
g
commit
|
commitdiff
|
tree
2019-10-17
S
zi
l
árd Pál
l
Fix cl
a
ng-tidy wa
r
n
ings in gpuhal
o
exchange_impl
.
cuh
commit
|
commitdiff
|
tree
2019-10-17
Szilárd
Páll
Eli
m
i
nate s
p
urious GPU->CPU copy
commit
|
commitdiff
|
tree
2019-10-17
Sz
i
l
ár
d
Páll
Di
s
able GMX_GPU_PM
E
_
P
P_COMMS if PME is
n
ot offloa
d
ed
commit
|
commitdiff
|
tree
2019-10-16
Szilárd
Páll
Fix ini
t
ialization
o
f field in PME data structure
commit
|
commitdiff
|
tree
2019-10-16
S
zilárd Páll
Mak
e
the wait
on non
b
ond
e
d GPU re
s
u
l
ts condi
t
i
onal
commit
|
commitdiff
|
tree
2019-10-15
S
z
i
lárd P
á
ll
T
r
igger syn
c
h
ro
n
i
zer wh
e
n local forc
e
s
are ready
commit
|
commitdiff
|
tree
2019-10-15
Szilárd Páll
L
ink GPU
c
oordin
a
t
e
producer and consume
r
tasks
commit
|
commitdiff
|
tree
2019-10-13
S
z
ilárd Páll
Enable S
t
a
t
ePropaga
t
orGpuDa
t
a for force transfers
commit
|
commitdiff
|
tree
2019-10-13
S
zilárd Páll
Mov
e
buffer ops
/
PME F
reduction
flag
s
in
t
o
S
tepWor
k
load
commit
|
commitdiff
|
tree
2019-10-10
Szilárd Páll
Migra
t
e c
o
d
e
to using
SimulationWorklo
a
d flags
commit
|
commitdiff
|
tree
2019-10-10
Szil
á
rd Páll
Re
m
ov
e
incorrect G
P
U
t
ask d
e
pendency
commit
|
commitdiff
|
tree
2019-10-10
Szilárd Páll
Fi
x
conditions for building
S
tatePropag
a
torData
G
pu
commit
|
commitdiff
|
tree
2019-10-10
Szil
á
rd Páll
Co
n
struct
a struct with development feature flags
commit
|
commitdiff
|
tree
2019-10-10
Szilárd Pá
l
l
Pass list of Ev
e
ntSy
n
chronizers
t
o
GPU reduction
commit
|
commitdiff
|
tree
2019-10-10
S
zilárd Páll
Add
m
anagement for
c
o
o
rdinates copy events i
n
to StatePropaga
.
.
.
commit
|
commitdiff
|
tree
2019-10-09
Szilár
d
Páll
Add GPU
event to mark t
h
at coordinate u
p
d
a
te is done
commit
|
commitdiff
|
tree
2019-09-30
Szilá
r
d Páll
Move PME
GPU
p
rogram buil
d
ing l
a
ter
commit
|
commitdiff
|
tree
2019-09-30
Sz
i
lárd Páll
Make the wait o
n
PME GPU resul
t
s
c
o
nditional
commit
|
commitdiff
|
tree
2019-09-27
Szil
á
rd P
á
ll
Switch
G
P
U
update off by def
a
ult
commit
|
commitdiff
|
tree
2019-09-25
Szilárd
P
ál
l
M
e
rg
e
remote-tr
a
cking bra
n
ch '
o
ri
g
in/release-20
1
9'
commit
|
commitdiff
|
tree
2019-09-18
Szilárd Páll
S
e
t up workload d
a
ta structures
commit
|
commitdiff
|
tree
2019-09-16
Szilárd P
á
ll
Refa
c
tor GPU
bu
f
ops-related launches
i
n
d
o_force()
commit
|
commitdiff
|
tree
2019-09-16
S
z
ilárd Páll
El
i
mina
t
e
u
n
neces
s
ary
G
P
U
strea
m
dependency
c
all
commit
|
commitdiff
|
tree
2019-09-13
Szilárd Pá
l
l
Fi
x
GPU X buff
e
r
ops with empty domain
commit
|
commitdiff
|
tree
2019-09-12
Szilárd Páll
Reorg
a
nize on-GPU PME
force reduction flag handling
commit
|
commitdiff
|
tree
2019-09-11
Sz
i
lárd Páll
Fix gpucomm matrix
commit
|
commitdiff
|
tree
2019-09-10
Szilár
d
Páll
E
l
im
i
nate raw force
f
lags in
d
o
_
f
orce_lowlevel(
)
commit
|
commitdiff
|
tree
2019-09-10
Szilárd Páll
Use
t
hre
a
d-MPI in the gp
u
comm
matri
x
commit
|
commitdiff
|
tree
2019-09-09
Szilárd Páll
Assert
the types o
f
OpenCL kerne
l
s arguments
commit
|
commitdiff
|
tree
2019-09-09
Szilárd Páll
Pa
s
s
g
m
x::Forc
e
Flags to CP
U
nbnxm dispat
c
h code
commit
|
commitdiff
|
tree
2019-09-09
Szilá
r
d
P
ál
l
Pa
s
s the
new gmx::Forc
e
Fl
a
gs to the nbnxm module
commit
|
commitdiff
|
tree
2019-09-06
S
zilár
d
Páll
Add gpuupda
t
e
a
nd
g
pucomm O
n
Demand tokens
commit
|
commitdiff
|
tree
2019-09-04
S
zilárd Páll
Bump ARM HPC toolchain
in post-su
b
mit to
v19
.
3
commit
|
commitdiff
|
tree
2019-09-04
Szilá
r
d
Pá
l
l
A
dd back a clang-tidy exce
p
tio
n
commit
|
commitdiff
|
tree
2019-09-04
Szilárd
P
áll
Centra
l
ize more MD/force sh
e
dule flags
commit
|
commitdiff
|
tree
2019-08-28
Szilárd Páll
A
dd
c
l
ang-tidy
n
ightly t
e
s
t with
SIMD + OpenCL
commit
|
commitdiff
|
tree
2019-08-28
Szilárd Páll
Move non
b
onded GPU wait timing into the G
P
U module
commit
|
commitdiff
|
tree
2019-08-25
Szilárd Páll
clang-tidy 8 fixes
fo
r
the
G
PU
host c
o
d
e-path
commit
|
commitdiff
|
tree
2019-08-25
Szilárd Páll
Further fixes for
clang-tidy clan
g
version 8
commit
|
commitdiff
|
tree
2019-08-23
Szilárd Páll
Fix clang-tidy
w
arnings in the O
p
e
nCL buil
d
commit
|
commitdiff
|
tree
2019-08-23
Szilárd P
á
ll
F
ix
clang tidy wa
r
ning
s
in CUDA
b
uild
commit
|
commitdiff
|
tree
2019-08-19
Szilárd Pál
l
Bump cl
a
n
g
-cuda pos
t
-su
b
mit compiler/CUDA version
commit
|
commitdiff
|
tree
2019-08-19
Szi
l
árd Páll
Switch to ARM
HPC t
o
olc
h
a
i
n v19
.
2
in
p
ost-subm
i
t
commit
|
commitdiff
|
tree
2019-08-19
Szilárd P
á
ll
Work around clang CU
D
A device code code
g
e
n bug
commit
|
commitdiff
|
tree
2019-08-16
Szilárd
P
áll
Fix si
m
_util
.
cpp cop
y
r
ight header
commit
|
commitdiff
|
tree
2019-08-15
Szilárd
P
á
ll
Fix
OpenCL gat
h
er
reduction
commit
|
commitdiff
|
tree
2019-08-12
Szilárd Páll
Fix hwlo
c
find package
nami
n
g and
q
u
i
etnes
s
iss
u
e
s
commit
|
commitdiff
|
tree
2019-07-31
Szilárd Páll
Store
wcycle po
i
nt
e
r in nonbonded_verlet_
t
commit
|
commitdiff
|
tree
2019-07-31
S
zi
l
árd Páll
Fi
x
es for F buff
e
r op
s
change
commit
|
commitdiff
|
tree
2019-07-31
Szilárd
Páll
Move cycle counting into the
GP
U
bonded m
o
dule
commit
|
commitdiff
|
tree
2019-07-31
Szil
á
rd Páll
Report w
h
en
develop
m
ent feature
f
lags are used
commit
|
commitdiff
|
tree
2019-07-31
Szilárd
P
áll
Move end
of step GPU task launches to a
f
u
n
ction
commit
|
commitdiff
|
tree
2019-07-25
Szilárd P
á
ll
O
n
l
y
stop the CU
D
A
profiler if there are d
e
vices
commit
|
commitdiff
|
tree
2019-07-22
Szilárd Páll
Conditiona
l
ly pin GPU-r
e
lated
g
rid d
a
t
a
commit
|
commitdiff
|
tree
2019-07-11
Szilár
d
Pá
l
l
Use HostVector fo
r
Grid/GridSet data n
e
e
d
o
n
-
G
P
U
commit
|
commitdiff
|
tree
2019-07-08
Szilárd Páll
Eli
m
i
n
a
t
e
a use of dou
b
le pre
c
ision in the
GPU
bonded
.
.
.
commit
|
commitdiff
|
tree
2019-07-04
Szilárd
P
áll
Bump
l
a
t
e
s
t
C
UD
A
+ gcc i
n
the pre
-
submit matrix
commit
|
commitdiff
|
tree
2019-07-04
Szilárd P
á
ll
Fix a -Wfo
r
mat-truncati
o
n warning i
n
tn
g
commit
|
commitdiff
|
tree
2019-07-01
Szilárd Páll
Refactor
t
rack
i
ng of GPU s
h
ort-range
w
ork/
s
kipp
i
n
g
commit
|
commitdiff
|
tree
2019-06-30
Szilárd Páll
Create dedica
t
e
d
subcounter for
nonbonded FEP
commit
|
commitdiff
|
tree
2019-06-28
Sz
i
l
á
r
d
Páll
Separate
C
P
U NB kerne
l
and buffer c
l
earing subcounters
commit
|
commitdiff
|
tree
2019-06-27
Szilárd Páll
Remove already resolved post
-
submit matrix
T
O
D
O
commit
|
commitdiff
|
tree
2019-06-24
S
z
ilárd
Páll
Only use AVX512 in own-FF
T
W if GROM
A
CS also
u
ses it
commit
|
commitdiff
|
tree
2019-06-19
Szilárd
P
áll
Disable PME GPU on Apple OpenCL
commit
|
commitdiff
|
tree
2019-05-29
Szilárd
P
á
ll
Temp
l
ate x
b
uffer ops call on whet
h
er GPU is use
d
commit
|
commitdiff
|
tree
2019-05-23
Szil
á
rd Pál
l
Fix muli
t
p
l
e link
refs in dev-manual
commit
|
commitdiff
|
tree
2019-05-20
Szilárd Páll
Improve X
b
uffer ops k
e
r
n
e
l
commit
|
commitdiff
|
tree
2019-04-25
Szilárd
Páll
Fix clang warni
n
g about
NULL use
commit
|
commitdiff
|
tree
2019-04-25
Szilár
d
Páll
Avoid using AtomLocality::Count as
a valid value
commit
|
commitdiff
|
tree
2019-04-24
S
z
ilá
r
d Páll
Fix CUDA fallba
c
k shmem gather reduction
commit
|
commitdiff
|
tree
2019-04-18
Sz
i
lárd P
á
ll
Fix
w
arnings & consolidat
e
d
eclarations
commit
|
commitdiff
|
tree
2019-04-16
Sz
i
lárd Páll
Move functions operating on enerdata out of force
.
cpp
commit
|
commitdiff
|
tree
2019-04-16
Sz
i
lárd Páll
R
e
move "coa
r
s
e load bal
a
ncing v
a
r
s"
f
rom forcerec
commit
|
commitdiff
|
tree
2019-04-16
Szilá
r
d Pá
l
l
G
r
oup sche
m
e rela
t
ed cl
e
anup
commit
|
commitdiff
|
tree
2019-04-16
Szilárd Páll
Remove Group
s
ch
e
m
e
neighbor search wrapper
commit
|
commitdiff
|
tree
next