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Allow CUDA build tests to succeed without GPU
2020-11-03
Szilárd Pá
l
l
Add missing wallcycl
e
_stop
commit
|
commitdiff
|
tree
2020-10-30
Szi
l
árd P
á
ll
Clang format
commit
|
commitdiff
|
tree
2020-10-30
S
zil
á
rd Páll
Add
f
v
e
c
doxygen
commit
|
commitdiff
|
tree
2020-10-30
Sz
i
lárd Páll
Fix A
M
D Ope
n
CL
float3
a
rray optimization bug
commit
|
commitdiff
|
tree
2020-10-27
Szilárd Pá
l
l
Fix clan
g
-t
i
d
y
v10 warnigns in
OpenCL kernels
commit
|
commitdiff
|
tree
2020-10-24
Szi
l
árd
P
á
ll
Exclude C
U
D
A
10
.
2 as
well
f
rom C++17 co
m
pilation
commit
|
commitdiff
|
tree
2020-10-22
S
z
ilárd Páll
Add missing GPU for
c
e
r
e
d
u
ction
c
ycle
counting
commit
|
commitdiff
|
tree
2020-10-21
S
z
ilárd Pá
l
l
Add mis
s
ing cycle c
o
u
n
t
i
ng for GPU halo
e
xchan
g
e ca
l
ls
commit
|
commitdiff
|
tree
2020-10-20
Szilárd Páll
Allow gcc-9 on Power 9
commit
|
commitdiff
|
tree
2020-10-09
Szi
l
árd
Pá
l
l
Fix NBLIB CMak
e
error me
s
sage
commit
|
commitdiff
|
tree
2020-10-01
Szilá
r
d Páll
U
pdate mdrun-perfor
m
ance
.
rst
commit
|
commitdiff
|
tree
2020-09-24
Szilárd Pá
l
l
Impr
o
v
e
OpenCL log/error
reporting
commit
|
commitdiff
|
tree
2020-09-03
Szil
á
rd Pá
l
l
Move mixplaced release n
o
tes entry
commit
|
commitdiff
|
tree
2020-04-12
Szilárd Páll
Fix clang
1
0 -Wimp
l
icit-in
t
-
float-conv
e
rsion warn
i
ngs
commit
|
commitdiff
|
tree
2020-03-19
Szilárd
Páll
Fix DLB initi
a
l state report
i
ng
commit
|
commitdiff
|
tree
2020-03-11
Szilárd P
á
ll
R
eorg
a
niz
e
d
ipole c
a
lculation in do_force
commit
|
commitdiff
|
tree
2020-02-26
Szilárd Páll
Avo
i
d
mdrun
t
erminate due to
G
PU s
a
nity check errors
commit
|
commitdiff
|
tree
2020-02-26
S
z
ilárd Páll
Document NVIDIA OpenCL broken on
Volta and T
u
ring
commit
|
commitdiff
|
tree
2020-02-26
Szil
á
rd Páll
R
em
o
ve outdated PME-GPU limitation in user guide
commit
|
commitdiff
|
tree
2020-02-25
Szilár
d
Páll
Improve GPU updat
e
tasks assignment co
n
sistency
commit
|
commitdiff
|
tree
2020-02-17
Szi
l
árd Páll
Add simulatio
n
workload
fl
a
g fo
r
d
i
p
o
le computation
commit
|
commitdiff
|
tree
2020-02-15
Szi
l
á
r
d Páll
Fix
g
p
uudpate and
g
p
u
comm m
a
trix docs
commit
|
commitdiff
|
tree
2020-02-11
Szil
á
rd P
á
ll
F
i
x in
c
orrect GPU upd
a
te task assignm
e
n
t fallback
commit
|
commitdiff
|
tree
2020-02-10
Szilár
d
Páll
Avoi
d
d
e
v
flags in t
r
iggerin
g
g
puupdate night
l
y matrix
commit
|
commitdiff
|
tree
2020-02-10
Szilárd Pá
l
l
A
v
o
id (re)initializing GPU
u
pdate without
D
D
commit
|
commitdiff
|
tree
2020-02-06
Szilárd Páll
Re
m
ove mu_tot from compute_globa
l
s()
commit
|
commitdiff
|
tree
2020-01-31
Szilárd Páll
Elim
i
nate th
e
l
e
gacyFla
g
s m
a
n
ip
u
latio
n
in do_
f
o
r
c
e()
commit
|
commitdiff
|
tree
2020-01-31
Szilárd Páll
Remove BufferOp
s
UseG
p
u e
n
u
m
commit
|
commitdiff
|
tree
2020-01-29
Szilárd
P
áll
Small impr
o
vement in OpenC
L
error
h
andling
commit
|
commitdiff
|
tree
2020-01-24
Sz
i
l
á
rd P
á
ll
Add target for offline PME Op
e
nCL compilation
commit
|
commitdiff
|
tree
2020-01-24
Szilárd
Páll
Fix deadlock in PP-PME ba
l
an
c
in
g
s
t
artup de
l
ay
commit
|
commitdiff
|
tree
2020-01-19
Szil
á
rd Páll
Templ
a
te X buffe
r
ops on setFi
l
lerCo
o
rds
commit
|
commitdiff
|
tree
2020-01-16
Szilárd Páll
F
ix
P
M
E
run
mode without PME
commit
|
commitdiff
|
tree
2020-01-10
Szilárd Páll
Impro
v
e mdrun performance use
r
g
u
ide
commit
|
commitdiff
|
tree
2019-12-20
Sz
i
lárd P
á
ll
E
nabl
e
buffer o
p
s when GMX_GPU_DD_COMMS
is
set
commit
|
commitdiff
|
tree
2019-12-19
Szilá
r
d Páll
PP
-
PME load b
a
lanci
n
g i
m
p
r
ovem
e
nts
commit
|
commitdiff
|
tree
2019-12-18
Szilárd Páll
A
l
l
o
w x D2H
t
o
overlap w
i
th
G
PU
f
orce c
o
mpute
commit
|
commitdiff
|
tree
2019-12-17
Szilárd P
á
ll
Comm
e
n
t the us
e
of waitC
o
ord
i
natesCop
i
ed
T
o
Device
commit
|
commitdiff
|
tree
2019-12-17
Szilárd Páll
Add w
a
llc
y
cle co
u
nting to St
a
tePropagatorDataGpu
commit
|
commitdiff
|
tree
2019-12-16
S
z
ilárd Páll
Fix the GPU bonded stream with
1
PP + 1 PME rank
commit
|
commitdiff
|
tree
2019-12-12
Szil
á
rd Páll
Allow
o
verlapping CPU force H2D
with
c
om
p
ute
commit
|
commitdiff
|
tree
2019-11-17
Szilárd
P
á
l
l
T
rigger oc
l
_nbnxm_kernels target with c
l
a
ng-tidy
commit
|
commitdiff
|
tree
2019-11-17
Szilárd Páll
Fix cla
n
g-
t
idy
8
warnings
in OpenCL nbnxm
k
ernels
commit
|
commitdiff
|
tree
2019-11-03
Szilár
d
P
á
l
l
I
m
pr
o
ve Simu
l
ationWorkload doxyge
n
commit
|
commitdiff
|
tree
2019-11-01
Szilárd
Páll
Rename reference
c
hecksum
g
en
e
rating target
commit
|
commitdiff
|
tree
2019-11-01
Szilárd Páll
Use "-" in che
c
ksum-r
e
late
d
version suf
f
ix
commit
|
commitdiff
|
tree
2019-11-01
Szil
á
rd Páll
Improve
workload
d
a
ta structures'
d
ocs
commit
|
commitdiff
|
tree
2019-10-28
Szil
á
rd Páll
Ex
t
end
Sim
u
lationW
o
rkload
with CPU flags
commit
|
commitdiff
|
tree
2019-10-21
Szilárd P
á
ll
Re
m
ove unsupport
e
d configs fro
m
th
e
gpuupdate matrix
commit
|
commitdiff
|
tree
2019-10-21
Szilárd Páll
Override GMX_GPU_DD_COMMS if nonbo
n
deds ar
e
off
commit
|
commitdiff
|
tree
2019-10-18
Szilárd Pá
l
l
Add strict assertions
on x
synchronizer in
P
M
E
commit
|
commitdiff
|
tree
2019-10-18
S
zilárd Páll
Fix g
e
n
i
on clang-8 warni
n
g
commit
|
commitdiff
|
tree
2019-10-17
Szilárd Páll
Fix
clang-tid
y
w
a
rnings
in
gpuhaloe
x
c
hange_impl
.
cuh
commit
|
commitdiff
|
tree
2019-10-17
Szi
l
árd Páll
El
i
minate spuri
o
u
s
G
P
U
->C
P
U copy
commit
|
commitdiff
|
tree
2019-10-17
Szil
á
rd Páll
Disable GMX_G
P
U_PME_PP_C
O
MMS if
P
ME is not offloaded
commit
|
commitdiff
|
tree
2019-10-16
Szilárd
P
áll
Fix initiali
z
ation of field in PME data struc
t
ure
commit
|
commitdiff
|
tree
2019-10-16
Szilárd Páll
Make the wait on nonbon
d
ed GPU results conditio
n
al
commit
|
commitdiff
|
tree
2019-10-15
Szilárd Páll
Trig
g
er synchroni
z
er when local f
o
rces are
ready
commit
|
commitdiff
|
tree
2019-10-15
Szilárd P
á
ll
Link GP
U
coordinat
e
producer a
n
d consu
m
er task
s
commit
|
commitdiff
|
tree
2019-10-13
Szilárd
P
á
ll
Enable StateP
r
o
pagatorGp
u
Data for fo
r
ce transfers
commit
|
commitdiff
|
tree
2019-10-13
Szilárd P
á
l
l
Move b
u
ffer o
p
s / PME F r
e
d
u
ct
i
o
n flags
i
nto S
t
epWorkload
commit
|
commitdiff
|
tree
2019-10-10
Szi
l
árd Páll
Mi
g
rate code
t
o using Simu
l
ationWorkload flags
commit
|
commitdiff
|
tree
2019-10-10
Szilá
r
d
Páll
Remove incorre
c
t GP
U
tas
k
d
ependency
commit
|
commitdiff
|
tree
2019-10-10
S
zilá
r
d Páll
Fix conditions f
o
r building StatePropa
g
atorDataGpu
commit
|
commitdiff
|
tree
2019-10-10
Szilárd Páll
C
o
n
st
r
uct a struct
with development feature flags
commit
|
commitdiff
|
tree
2019-10-10
Szilárd
P
ál
l
P
a
s
s
list of Event
S
ynchr
o
nizer
s
to G
P
U reduction
commit
|
commitdiff
|
tree
2019-10-10
Szilá
r
d
Páll
A
dd
m
an
a
ge
m
ent
for coordina
t
es
cop
y
even
t
s into StateP
r
o
p
a
ga
.
.
.
commit
|
commitdiff
|
tree
2019-10-09
Sz
i
lárd
P
á
ll
Add GPU event to mark
t
hat coordin
a
te update is done
commit
|
commitdiff
|
tree
2019-09-30
Szilá
r
d Pál
l
Move PME GP
U
program building later
commit
|
commitdiff
|
tree
2019-09-30
Szilárd Páll
Make the
wait on PM
E
GPU
results condi
t
ion
a
l
commit
|
commitdiff
|
tree
2019-09-27
S
z
ilárd Páll
Swi
t
ch GPU update o
f
f
b
y def
a
ult
commit
|
commitdiff
|
tree
2019-09-25
Szilárd
Páll
Merge remote-
t
racking bran
c
h 'origin/relea
s
e-2019'
commit
|
commitdiff
|
tree
2019-09-18
Szilárd Pá
l
l
Set u
p
w
o
rkl
o
ad dat
a
structures
commit
|
commitdiff
|
tree
2019-09-16
Szilárd Páll
R
efac
t
or GPU buf ops-rel
a
te
d
la
u
nches in
d
o
_force()
commit
|
commitdiff
|
tree
2019-09-16
S
z
i
l
á
r
d Páll
Eliminate
unnec
e
s
sary GPU stream de
p
ende
n
cy call
commit
|
commitdiff
|
tree
2019-09-13
Szilárd Páll
Fix GPU
X buffe
r
ops with emp
t
y
d
omain
commit
|
commitdiff
|
tree
2019-09-12
Szilá
r
d Páll
R
e
org
a
nize on-GPU PME
f
orce reductio
n
flag handling
commit
|
commitdiff
|
tree
2019-09-11
Szilárd Páll
Fix gpuc
o
mm matrix
commit
|
commitdiff
|
tree
2019-09-10
Szilárd Páll
E
l
imina
t
e
ra
w
force fla
g
s in do_force_lowlevel()
commit
|
commitdiff
|
tree
2019-09-10
Szilárd Páll
Use thread-MPI in t
h
e gpucomm matrix
commit
|
commitdiff
|
tree
2019-09-09
Szilárd Pál
l
A
s
sert t
h
e types o
f
O
p
en
C
L kerne
l
s arguments
commit
|
commitdiff
|
tree
2019-09-09
Szi
l
árd Pá
l
l
Pas
s
g
mx::Fo
r
c
e
Flag
s
to CPU n
b
nxm di
s
pat
c
h code
commit
|
commitdiff
|
tree
2019-09-09
Szilárd
Páll
Pass the new gmx::
F
o
r
c
eF
l
ags to
t
h
e
nbnxm modul
e
commit
|
commitdiff
|
tree
2019-09-06
Szilárd Páll
Add gpuupdate and gpucom
m
On
D
emand tok
e
ns
commit
|
commitdiff
|
tree
2019-09-04
Szilárd Páll
Bump ARM
H
PC to
o
lchain in
post-submi
t
to v19
.
3
commit
|
commitdiff
|
tree
2019-09-04
S
zi
l
á
r
d Páll
Add bac
k
a clan
g
-tid
y
excep
t
ion
commit
|
commitdiff
|
tree
2019-09-04
Szilárd Pál
l
Centralize mo
r
e MD/
f
orce shedule
f
l
ags
commit
|
commitdiff
|
tree
2019-08-28
Szilárd P
á
l
l
Add cl
a
ng-
t
i
dy nightly test with SIMD + Open
C
L
commit
|
commitdiff
|
tree
2019-08-28
Szilárd
P
á
ll
Move nonbonded GPU wait timing i
n
to the GPU
module
commit
|
commitdiff
|
tree
2019-08-25
Szil
á
rd Páll
clang-
t
idy 8 fixes
for the
GPU ho
s
t c
o
de-path
commit
|
commitdiff
|
tree
2019-08-25
Szilárd Pál
l
Further fixes
fo
r
clang-tidy clang v
e
rs
i
on 8
commit
|
commitdiff
|
tree
2019-08-23
S
z
ilárd Páll
Fix c
l
an
g
-tidy warnings in the OpenCL b
u
ild
commit
|
commitdiff
|
tree
2019-08-23
Szilárd Páll
F
ix clang tidy warnings in CUD
A
b
u
ild
commit
|
commitdiff
|
tree
2019-08-19
Szilárd
P
ál
l
Bump
c
lang-c
u
da post-submit
c
ompiler/CUDA version
commit
|
commitdiff
|
tree
2019-08-19
S
z
ilárd P
á
l
l
Switc
h
to
ARM HPC to
o
l
c
h
ain v19
.
2
in post-sub
m
it
commit
|
commitdiff
|
tree
2019-08-19
S
z
i
lárd Páll
W
o
rk aroun
d
clang CUDA d
e
vice code codegen bug
commit
|
commitdiff
|
tree
2019-08-16
S
z
ilárd Pá
l
l
Fix sim
_
util
.
cpp copyright header
commit
|
commitdiff
|
tree
2019-08-15
Szilá
r
d Páll
F
i
x
OpenCL gath
e
r reducti
o
n
commit
|
commitdiff
|
tree
2019-08-12
S
z
il
á
rd
P
áll
F
i
x hwlo
c
find packag
e
naming and
q
u
ietness issues
commit
|
commitdiff
|
tree
2019-07-31
S
z
ilárd P
á
ll
Store wcycl
e
pointer in nonbonded_verle
t
_t
commit
|
commitdiff
|
tree
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