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GROMACS 2021 first beta release
2020-10-19
Al
a
n
Gray
H
alo excha
n
ge unit test for pre-existing CPU
codepath
commit
|
commitdiff
|
tree
2020-10-16
Alan Gray
Fix for force copy dependency of GPU f
o
rce redu
c
ti
o
n
commit
|
commitdiff
|
tree
2020-10-02
Alan Gray
Use
workload data structures for
G
PU halo ex
c
hange
.
.
.
commit
|
commitdiff
|
tree
2020-09-29
Alan Gray
Redevelopment
of GPU Force Reductio
n
/Bu
f
f
e
r Ops
commit
|
commitdiff
|
tree
2020-09-28
Alan Gray
Remo
v
e si
n
gle-dimen
s
ion limitat
i
on from
GPU
h
alo
e
xchang
e
commit
|
commitdiff
|
tree
2020-09-23
A
la
n
G
ray
Add
regress
i
on tests for gpuc
o
mm paths
commit
|
commitdiff
|
tree
2020-09-15
Alan Gray
Pass d
e
vFlags
i
n
to
createSimula
t
i
onWorklo
a
d rep
l
acing
.
.
.
commit
|
commitdiff
|
tree
2020-09-08
Alan Gray
Bug f
i
x in ca
l
l
to d
e
viceStreamManager constructor
commit
|
commitdiff
|
tree
2020-09-03
Alan
G
ra
y
Fix bug in Li
n
cs G
P
U
set
u
p
commit
|
commitdiff
|
tree
2020-09-03
Al
a
n Gray
F
ix b
u
g it GPU halo ex
c
hange initial
i
zation for cont
i
nuation
.
.
.
commit
|
commitdiff
|
tree
2020-08-27
Alan Gray
Avoid
s
eg fault when PME-PP GPU c
o
mm flag is use
d
in
.
.
.
commit
|
commitdiff
|
tree
2020-08-20
Alan
Gray
Fix bug
in Lincs GP
U
setup
commit
|
commitdiff
|
tree
2020-08-07
Alan Gray
Rever
t
"
M
od
e
rnize
S
TL usage" fo
r
fixed
C
a
p
aci
t
yVector
commit
|
commitdiff
|
tree
2020-08-04
Alan Gra
y
Fix compilatio
n
issue: pass vari
a
ble of expected typ
e
.
.
.
commit
|
commitdiff
|
tree
2020-03-04
Alan Gray
Fix seg faul
t
caused
b
y un
i
nte
n
ded GPU P
M
E coordinate
.
.
.
commit
|
commitdiff
|
tree
2020-03-03
Alan Gray
Allow PME coordinate send be
f
ore H2D
c
oordinate transfer
commit
|
commitdiff
|
tree
2020-02-15
Alan Gray
Multi
p
le pulses f
o
r GPU Halo
E
x
change
commit
|
commitdiff
|
tree
2020-02-05
A
l
a
n Gray
Bu
g
fix to avoid
passing null object into
c
u
daDestroyTextu
r
e
.
.
.
commit
|
commitdiff
|
tree
2020-01-09
Alan G
r
a
y
Fix memory address b
u
g in GPU
P
M
E
c
oo
r
dina
t
e add
r
e
ss
.
.
.
commit
|
commitdiff
|
tree
2019-12-20
Alan Gra
y
Add
use
r
g
u
ide doc for
GPU buffer ops and comms en
v
.
.
.
commit
|
commitdiff
|
tree
2019-12-19
Alan Gray
Release note for GPU direct
c
ommun
i
ca
t
ions
commit
|
commitdiff
|
tree
2019-12-19
A
l
a
n
Gray
Fix PME tuni
n
g issue when P
M
E
-
PP communication
s
ar
e
.
.
.
commit
|
commitdiff
|
tree
2019-12-18
Alan Gr
a
y
F
ix
conditiona
l
on assertion for
c
ombining GPU
U
pdate
.
.
.
commit
|
commitdiff
|
tree
2019-12-03
Alan Gray
E
n
able
GPU
update wi
t
h DD wh
e
n
GPU comm featur
e
s
are
.
.
.
commit
|
commitdiff
|
tree
2019-11-27
Alan Gr
a
y
Event
-
based Dependency for G
P
U Force Halo Exch
a
nge
commit
|
commitdiff
|
tree
2019-11-26
A
l
an Gray
Bug fix fo
r
n
o
nlocal D2H
c
o
o
rdinate transfer synchro
n
i
zation
commit
|
commitdiff
|
tree
2019-11-25
Alan Gray
F
i
x
rac
e
condition in GPU X
h
a
lo exchange with G
P
U
.
.
.
commit
|
commitdiff
|
tree
2019-11-20
A
l
an Gray
Mov
e
pmePpC
o
mmGpu r
e
set outside d
o
_md
commit
|
commitdiff
|
tree
2019-11-15
Alan Gra
y
Replace blocking wit
h
non-blo
c
king receive in GPU PME
.
.
.
commit
|
commitdiff
|
tree
2019-11-09
Alan Gray
Modernize naming in GPU b
u
ffer ops ker
n
e
ls
commit
|
commitdiff
|
tree
2019-11-01
Alan
G
ray
Remove e
n
ergy step de
p
endence on GPU
f
orce
b
uffer ops
commit
|
commitdiff
|
tree
2019-10-31
Alan
G
ray
Remove dead code f
o
r nbnxm H2D coo
r
dinate copy event
commit
|
commitdiff
|
tree
2019-10-31
Ala
n
Gray
Bug fix for e
v
ent passed to
G
PU comm f
e
atures
commit
|
commitdiff
|
tree
2019-10-29
A
lan Gr
a
y
Explic
i
t
ly destroy P
M
E-P
P
GPU com
m
unic
a
tion
o
bject
commit
|
commitdiff
|
tree
2019-10-23
Alan Gray
En
a
b
l
e GPU
Pee
r
A
c
cess in GPU Ut
i
li
t
ies
commit
|
commitdiff
|
tree
2019-10-21
Al
a
n
Gray
GP
U
Coordinat
e
P
M
E
/
PP Communicat
i
o
ns
commit
|
commitdiff
|
tree
2019-10-18
Alan G
r
ay
G
PU
R
eceive for P
M
E/PP GPU Force Commu
n
ications
commit
|
commitdiff
|
tree
2019-10-15
Alan Gray
PME/PP G
P
U
Pi
m
pl Class a
n
d GPU->CPU Communicatio
n
for
.
.
.
commit
|
commitdiff
|
tree
2019-09-18
Alan Gray
GPU
Forc
e
Halo
E
x
change
commit
|
commitdiff
|
tree
2019-09-16
Alan Gray
GPU halo exchang
e
commit
|
commitdiff
|
tree
2019-08-15
Alan Gray
PME reduction
for CUDA F buffe
r
opera
t
ion
s
commit
|
commitdiff
|
tree
2019-07-19
Alan Gray
F buffer operati
o
ns in CU
D
A
commit
|
commitdiff
|
tree
2019-07-01
A
l
an G
r
ay
B
u
g fix and s
i
mp
l
ification for CUD
A
X Buf
f
e
r Ops
commit
|
commitdiff
|
tree
2019-05-22
Ala
n
G
r
ay
Pin X buffer with DD and use proper abstrac
t
ion in
.
.
.
commit
|
commitdiff
|
tree
2019-05-22
Alan Gray
Code quality improvements for CUDA posi
t
ion
b
uf
f
er ops
commit
|
commitdiff
|
tree
2019-05-10
Alan G
r
ay
Position buffer ops in CUDA
commit
|
commitdiff
|
tree
2018-11-14
Ala
n
Gray
Added Alan and Jon to List of Contribu
t
e
r
s
commit
|
commitdiff
|
tree