repo.or.cz
/
gromacs.git
/
search
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
log
|
graphiclog1
|
graphiclog2
|
commit
|
commitdiff
|
tree
|
refs
|
edit
|
fork
first
·
prev
·
next
Third GROMACS 2021 beta release
2020-12-02
Paul Bauer
Third GROMACS 2021 bet
a
r
el
e
a
s
e
commit
|
commitdiff
|
tree
2020-11-23
Artem Zhmurov
Mak
e
c
or
r
espo
n
ding device act
i
ve before ea
c
h
TestDevice
.
.
.
commit
|
commitdiff
|
tree
2020-11-04
Al
a
n
Gra
y
Allow GPU updat
e
w
i
thou
t
GP
U
DD
commit
|
commitdiff
|
tree
2020-10-30
Paul
B
auer
Fix
u
nused variable
w
arnings
commit
|
commitdiff
|
tree
2020-10-27
P
a
ul B
a
uer
Fi
x
r
e
maining clang tidy
issues with OpenC
L
commit
|
commitdiff
|
tree
2020-10-09
Szilár
d
Páll
Fix
N
BLIB CM
a
ke e
r
ror message
commit
|
commitdiff
|
tree
2020-09-03
Szilá
r
d Páll
Move
mixplaced release no
t
es entry
commit
|
commitdiff
|
tree
2020-03-18
M
ark
A
bra
h
am
Simpl
i
fy
PME GPU cons
t
ants
commit
|
commitdiff
|
tree
2020-03-13
Artem Zhmurov
C
o
mbi
n
e ini
t
ial
i
zatio
n
routin
e
s
for
G
PUs
a
s
signed to
.
.
.
commit
|
commitdiff
|
tree
2020-03-13
Artem Zhmurov
R
e
move stre
a
m fro
m
GP
U
kernel
l
a
unch co
n
fig
commit
|
commitdiff
|
tree
2020-03-03
Paul
B
a
uer
Always hash files when building fro
m
rele
a
se tarball
commit
|
commitdiff
|
tree
2020-02-26
Szilárd Páll
Avoid md
r
un
t
e
r
minate
d
u
e
to GPU sanity check errors
commit
|
commitdiff
|
tree
2020-02-26
Szilár
d
Páll
Document
NVIDIA
O
penCL
b
roken on
V
olta and Turing
commit
|
commitdiff
|
tree
2020-02-11
S
z
ilárd Páll
Fix in
c
orrect GPU upda
t
e
task as
s
ignme
n
t fallback
commit
|
commitdiff
|
tree
2020-01-31
Szilár
d
Páll
Remove Bu
f
f
e
r
O
p
s
UseGpu
e
n
um
commit
|
commitdiff
|
tree
2020-01-20
A
rt
e
m Zhmurov
Rename SettleCuda to SettleGpu
commit
|
commitdiff
|
tree
2020-01-10
S
zilárd P
á
ll
Improve m
d
run performance us
e
r g
u
ide
commit
|
commitdiff
|
tree
2019-12-04
Christian Blau
R
emove c
u
toff-scheme gr
o
up
from
d
efault mdout
.
mdp
o
utpu
t
commit
|
commitdiff
|
tree
2019-11-26
Artem Zhmur
o
v
Remove the PBC mana
g
em
e
nt fro
m
L
INCS, SETTLE a
n
d Lea
p
.
.
.
commit
|
commitdiff
|
tree
2019-10-31
Be
r
k Hess
Update G
P
U
upd
a
te restri
c
ti
o
ns
commit
|
commitdiff
|
tree
2019-10-30
Jonat
h
an Vincent
U
p
date PME CU
D
A spread/gather
commit
|
commitdiff
|
tree
2019-10-29
Artem Zhmurov
Switch the GPU buffe
r
o
p
s
on when u
p
date is on GPU
commit
|
commitdiff
|
tree
2019-10-28
Art
e
m
Zhmurov
Fix mi
s
s
i
n
g coordinate D2H
copy wit
h
G
PU
u
p
d
ate and
.
.
.
commit
|
commitdiff
|
tree
2019-10-28
A
r
tem Zhmurov
Add haveCpuLocalForces flag to Dom
a
i
nLifet
i
meW
o
rkl
o
a
d
commit
|
commitdiff
|
tree
2019-10-28
A
rtem Zhmurov
Al
l
ow using update f
l
ag
commit
|
commitdiff
|
tree
2019-10-22
A
r
tem Zhmurov
Remove unnece
s
sary CUDA
s
t
ream s
y
nchronizati
o
n calls
commit
|
commitdiff
|
tree
2019-10-22
Artem Zhmurov
Rename havePositionRest
r
aints(
.
.
.
)
to
h
aveRestraint
s
.
.
.
commit
|
commitdiff
|
tree
2019-10-21
Szilá
r
d Páll
Re
m
ove unsupported configs from the gpuu
p
date matrix
commit
|
commitdiff
|
tree
2019-10-21
Alan Gray
GPU Coordin
a
te
P
M
E
/PP Communica
t
ions
commit
|
commitdiff
|
tree
2019-10-18
Alan Gray
GP
U
Re
c
eive for P
M
E/PP GPU Force Communicat
i
o
n
s
commit
|
commitdiff
|
tree
2019-10-18
P
a
ul Bauer
Use clang-tid
y
-8
commit
|
commitdiff
|
tree
2019-10-17
Szilá
r
d Páll
Fix clang-tidy warn
i
ngs
i
n gpuhal
o
exchange_impl
.
c
uh
commit
|
commitdiff
|
tree
2019-10-15
Szilár
d
Páll
Trig
g
er sy
n
chronizer when local forces a
r
e
r
eady
commit
|
commitdiff
|
tree
2019-10-15
Arte
m
Zhmurov
Fix
t
he single-GP
U
update-cons
t
rai
n
t
s
commit
|
commitdiff
|
tree
2019-10-10
S
zilárd
P
áll
Fix condit
i
ons
for building Stat
e
PropagatorData
G
pu
commit
|
commitdiff
|
tree
2019-10-10
Szilárd Páll
C
onstr
u
ct a struct wi
t
h
d
evelopment fe
a
tu
r
e
f
lags
commit
|
commitdiff
|
tree
2019-10-03
Berk Hess
Fix GPU atom data init timer
iss
u
e
commit
|
commitdiff
|
tree
2019-10-02
Art
e
m Zh
m
urov
Eliminate D2D copy in up
d
ate constraints
commit
|
commitdiff
|
tree
2019-09-25
Szilá
r
d Pá
l
l
M
erge r
e
m
o
t
e-track
i
ng
b
ranch 'origin/release-2019'
commit
|
commitdiff
|
tree
2019-09-18
S
z
i
l
á
r
d
Páll
Se
t
u
p
workload d
a
t
a str
u
ctures
commit
|
commitdiff
|
tree
2019-09-18
P
a
ul Bauer
Fix MSVC
w
arning
commit
|
commitdiff
|
tree
2019-09-17
Paul
Bauer
Add deprecation note for 32 bi
t
commit
|
commitdiff
|
tree
2019-09-16
Sz
i
lárd Páll
Refactor GPU bu
f
ops-
r
elate
d
la
u
nche
s
in do_force
(
)
commit
|
commitdiff
|
tree
2019-09-13
S
zi
l
á
rd Pá
l
l
F
ix GPU X buf
f
er
o
p
s with empty domain
commit
|
commitdiff
|
tree
2019-09-11
Artem
Zhmu
r
ov
Deco
u
ple
c
oordinates
b
u
ffer management
from buffe
r
.
.
.
commit
|
commitdiff
|
tree
2019-09-11
Artem Zhmurov
R
eorgani
z
e PM
E
code:
commit
|
commitdiff
|
tree
2019-09-11
Szilárd Páll
Fix gpuc
o
mm matrix
commit
|
commitdiff
|
tree
2019-09-06
Mark Abra
h
am
Clean
up co
m
mrec unif
o
rmly
commit
|
commitdiff
|
tree
2019-09-04
Berk He
s
s
Collect se
t
ti
n
gs for DD in DD
S
et
t
ings
commit
|
commitdiff
|
tree
2019-09-03
Berk He
s
s
R
emove gmx_dom
d
ec_t f
r
om dd_choose_g
r
id()
commit
|
commitdiff
|
tree
2019-09-03
Berk
H
ess
Extact UnitC
e
ll
I
nfo from gmx_domdec_t
commit
|
commitdiff
|
tree
2019-09-02
Mark Abra
h
am
M
ove ini
t
ialization of clFFT
commit
|
commitdiff
|
tree
2019-08-26
Mark Abraham
Converted a C
U
DA config
t
o
use clang h
o
st-only c
o
mp
i
lation
commit
|
commitdiff
|
tree
2019-08-23
Szil
á
r
d
Páll
Fix clang tid
y
w
a
rnin
g
s in CUDA buil
d
commit
|
commitdiff
|
tree
2019-08-21
M
a
rk Abraham
Improve organizat
i
o
n
of LINCS
reporting
commit
|
commitdiff
|
tree
2019-08-15
Alan
G
r
ay
P
ME reduction for CUDA F buffer ope
r
ations
commit
|
commitdiff
|
tree
2019-08-12
Szilárd Pá
l
l
Fix h
w
loc find package na
m
i
ng and q
u
ietness issues
commit
|
commitdiff
|
tree
2019-07-26
Berk Hess
Remove
sh_invrc6 from interaction_const_t
commit
|
commitdiff
|
tree
2019-07-19
Ala
n
Gray
F buffe
r
operations in CUDA
commit
|
commitdiff
|
tree
2019-07-16
Mar
k
Abraham
A
d
d gpu
b
u
f
ferops test matrix
commit
|
commitdiff
|
tree
2019-07-11
Szilárd Páll
U
se HostVector f
o
r Grid/GridSet data need o
n
-GPU
commit
|
commitdiff
|
tree
2019-07-04
Szil
á
rd Páll
Bump latest CUDA + gcc in the pre
-
submit matrix
commit
|
commitdiff
|
tree
2019-07-04
S
z
ilárd Páll
Fix a -Wfo
r
mat-
t
run
c
ation warning in tng
commit
|
commitdiff
|
tree
2019-07-01
Alan Gray
Bug fix and simplific
a
ti
o
n for CU
D
A X
B
uffer Ops
commit
|
commitdiff
|
tree
2019-06-17
Berk Hess
Simpl
i
fy GPU nbnx
m
x conversion
commit
|
commitdiff
|
tree
2019-05-22
Alan Gray
Code qualit
y
i
m
provement
s
for CUDA position bu
f
f
e
r
o
ps
commit
|
commitdiff
|
tree
2019-05-20
Szilárd Páll
Imp
r
o
ve X buffe
r
ops ke
r
nel
commit
|
commitdiff
|
tree
2019-05-10
Ala
n
Gr
a
y
Po
s
ition buf
f
er ops i
n
CU
D
A
commit
|
commitdiff
|
tree
2019-03-27
B
e
r
k
H
e
ss
Fix nbnxm OpenCL with cluster size 4
commit
|
commitdiff
|
tree
2019-02-07
Szilárd
Páll
Require a 6
4
-bit platform for
OpenCL
commit
|
commitdiff
|
tree
2019-01-18
Mark Abra
h
am
Impro
v
e nvcc er
r
or
reporting
commit
|
commitdiff
|
tree
2019-01-02
Szi
l
ár
d
Páll
Fix clan
g
6 w
a
r
n
ing
commit
|
commitdiff
|
tree
2018-12-31
Szil
á
rd
Páll
Fi
x
release notes
t
ypo
commit
|
commitdiff
|
tree
2018-12-20
Sz
i
lárd P
á
ll
Merge "Merge branch release-
2
0
1
8 into release-201
9
.
.
.
commit
|
commitdiff
|
tree
2018-12-18
S
z
ilá
r
d
Pá
l
l
Merge release
-
2019
b
ranch into master
commit
|
commitdiff
|
tree
2018-12-18
B
e
r
k
Hess
Us
e
std::
v
ector in LINCS
commit
|
commitdiff
|
tree
2018-12-17
Szilárd
P
áll
F
i
x GMX_BU
I
LD_OW
N
_FFTW_URL CMak
e
cache
e
n
try type
commit
|
commitdiff
|
tree
2018-12-17
Paul Bauer
Add
matrix
entry
t
o
te
s
t
external FFTW bui
l
d
commit
|
commitdiff
|
tree
2018-12-17
Paul Bauer
Fix
F
F
T
W build
commit
|
commitdiff
|
tree
2018-12-13
Sz
i
l
árd Páll
A
v
oid spurious timing
in
b
on
d
ed GPU
l
a
u
nch subcounte
r
commit
|
commitdiff
|
tree
2018-11-26
Mark Abraham
Clea
n
up initial log
outp
u
t
commit
|
commitdiff
|
tree
2018-11-22
Mark Abra
h
a
m
Introduce
PpFo
r
ceWorkload
commit
|
commitdiff
|
tree
2018-11-07
Szilárd Páll
Re-enabl
e
the armclang post-submit
b
ui
l
d
commit
|
commitdiff
|
tree
2018-11-07
Mark
A
b
r
a
h
a
m
Sup
p
ress clang warning
s
about QMMM code
commit
|
commitdiff
|
tree
2018-11-01
Mark Abraham
Stop using hwloc on old ARM s
l
ave
commit
|
commitdiff
|
tree
2018-10-31
B
erk Hess
Pin imp
o
rtant b
u
ffer
s
in C
U
DA bo
n
deds
commit
|
commitdiff
|
tree
2018-10-22
Mark Abra
h
am
F
i
x clan
g
CUDA w
a
rnings
commit
|
commitdiff
|
tree
2018-10-14
Szi
l
árd Páll
F
i
x
more clang-6 w
a
rnings in CUDA c
o
de
commit
|
commitdiff
|
tree
2018-10-08
R
oland S
c
hulz
Fix O
C
L compi
l
er wa
r
n
ings
commit
|
commitdiff
|
tree
2018-10-08
Roland
Sch
u
lz
R
emove major
i
t
y
of OCL command
line const
a
nt
s
commit
|
commitdiff
|
tree
2018-10-07
Szilár
d
P
á
ll
Use
n
ew GPU
s
l
av
e
for A
M
D
Ope
n
CL
v
erify runs
commit
|
commitdiff
|
tree
2018-10-05
Roland
Sc
h
ul
z
F
ix mul
t
iple
bugs dete
c
ted on Windows
commit
|
commitdiff
|
tree
2018-10-04
Roland Schul
z
Use sub
g
ro
u
p
for warp_any and CJ4
prefetch
commit
|
commitdiff
|
tree
2018-10-04
Mark Abraham
Replace CUDA c
a
l
l deprecated in CUDA 10
commit
|
commitdiff
|
tree
2018-09-27
Roland Schulz
Recognize Intel GPU as compat
i
ble
commit
|
commitdiff
|
tree
2018-09-13
Rol
a
nd Schulz
Remove
s
p
a
rc
6
4_hpc_ace n
o
nbonded kern
e
ls
commit
|
commitdiff
|
tree
2018-09-07
Mark
A
braha
m
Minor fixes to GPU build system
commit
|
commitdiff
|
tree
2018-08-27
Aleksei
I
u
pinov
Prepare pme-gpu-types
.
h f
o
r OpenCL
commit
|
commitdiff
|
tree
2018-08-21
Szil
á
r
d Pá
l
l
Request f
l
u
shing denorms to zero in Ope
n
CL
commit
|
commitdiff
|
tree
2018-06-25
Aleksei I
u
p
i
nov
Mov
e
vectype_ops
.
clh into gpu_utils
commit
|
commitdiff
|
tree
next