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
Fix AMD OpenCL float3 array optimization bug
2020-10-30
Szilá
r
d
P
á
l
l
F
i
x
AMD OpenCL
float3
arra
y
optimi
z
ation
b
ug
commit
|
commitdiff
|
tree
2020-10-28
Andrey Alekseenko
Add dispatchTemplatedFunction
commit
|
commitdiff
|
tree
2020-10-27
M
.
E
r
i
c
Irrgang
U
p
date im
a
ge
n
ames i
n
job defini
t
i
o
ns
.
commit
|
commitdiff
|
tree
2020-10-27
A
r
tem Zhmur
o
v
Re
m
ove unu
s
e
d
v
e
l
ocity scalin
g
enum valu
e
commit
|
commitdiff
|
tree
2020-10-27
Paul Bauer
D
o
n't deploy nightly webpa
g
e
s
commit
|
commitdiff
|
tree
2020-10-22
Paul Bauer
Fix propa
g
ating flags for Intel + W
i
ndows
commit
|
commitdiff
|
tree
2020-10-22
Pau
l
Bauer
Fix
s
t
a
t
i
c linkin
g
with MS
V
C
commit
|
commitdiff
|
tree
2020-10-22
A
ndrey Alekseenko
TrajectoryE
l
ement: initialize and rena
m
e logWritingS
t
ep_
commit
|
commitdiff
|
tree
2020-10-22
Mark
Abraham
Suppres
s
w
a
rnin
g
s from clan
g
with nvcc more wi
d
ely
commit
|
commitdiff
|
tree
2020-10-16
Alan Gray
Fix
f
or force copy de
p
endency of GPU
f
orce
r
eduction
commit
|
commitdiff
|
tree
2020-10-09
Andrey Al
e
kse
e
nko
Try to fix the
n
ightly
c
lang
-
t
i
dy-9
b
u
i
ld
commit
|
commitdiff
|
tree
2020-10-08
A
n
dr
e
y Alekseenko
Add explicit types
to NB kernel type enums
commit
|
commitdiff
|
tree
2020-10-08
Andrey Alekseenk
o
Set
CUDA
h
ardware con
s
ta
n
ts for CC 7
.
5, 8
.
6
commit
|
commitdiff
|
tree
2020-10-08
Andrey Alek
s
eenko
Dev
i
ce management: Add SYCL GpuEventSynchr
o
n
i
zer
commit
|
commitdiff
|
tree
2020-10-07
Andrey Alekseenko
A
dd
G
puReg
i
onTimer f
o
r S
Y
C
L
commit
|
commitdiff
|
tree
2020-10-07
E
r
ik
Lind
a
h
l
Ne
w
release, new quotes!
commit
|
commitdiff
|
tree
2020-10-06
Art
e
m
Zhmurov
R
emove u
n
used canCom
p
uteOnGpu(
.
.
.
) function from
d
evice
.
.
.
commit
|
commitdiff
|
tree
2020-10-06
A
r
te
m
Zhmu
r
ov
Simpl
i
fy
G
PU usage decision func
t
ion sig
n
ature
s
commit
|
commitdiff
|
tree
2020-10-06
Andrey Aleks
e
enko
Fix logic
i
n init_ewald_cou
l
omb_force_table
commit
|
commitdiff
|
tree
2020-10-06
Artem Zhmur
o
v
Use new
G
P
U infrastructu
r
e in MDL
i
b t
e
sts
commit
|
commitdiff
|
tree
2020-10-05
Paul Bauer
Alway
s
set DeviceVendor
commit
|
commitdiff
|
tree
2020-10-05
Pau
l
Bauer
F
ix debu
g
message location
commit
|
commitdiff
|
tree
2020-10-05
Paul
Bauer
A
dd muparser and CMake handlin
g
commit
|
commitdiff
|
tree
2020-10-05
Paul Bauer
Fix doxygen
w
arnings
commit
|
commitdiff
|
tree
2020-10-01
Szilárd Páll
Updat
e
mdru
n
-performa
n
ce
.
rs
t
commit
|
commitdiff
|
tree
2020-10-01
G
i
lles Gouaillardet
do
c
s: ad
d
A
R
M+SVE s
u
pport t
o
the
r
e
lease notes
a
nd
.
.
.
commit
|
commitdiff
|
tree
2020-10-01
Gill
e
s
G
ouaillard
e
t
hardw
a
r
e: d
e
tect
A
R
M
SVE arc
h
itecture at runtime
commit
|
commitdiff
|
tree
2020-10-01
Gilles Gouaillardet
cma
k
e:
us
e
sim
d
s
u
pport for
A
R
M+SVE
commit
|
commitdiff
|
tree
2020-10-01
Gilles Gouaillardet
simd: add support fo
r
aarch
6
4
+
sve
(ARM_SVE)
commit
|
commitdiff
|
tree
2020-10-01
Gilles Gouaillardet
si
m
d: revam
p
the
(templ
a
t
e
d) decr3H
s
imd() subrouti
n
e
commit
|
commitdiff
|
tree
2020-10-01
Arte
m
Zhmurov
Add missi
n
g include into
t
he
t
ests c
o
mparison he
l
per
commit
|
commitdiff
|
tree
2020-10-01
Andrey Al
e
kseenko
Devi
c
e management:
A
d
d
SYCL D
e
v
i
ce
B
uffer
commit
|
commitdiff
|
tree
2020-09-30
Berk
H
ess
Move computeSlowForces into
s
tepW
o
rk
commit
|
commitdiff
|
tree
2020-09-30
Mar
k
Abraham
Fix war
n
ings is
s
u
e
d by cla
n
g
with nvcc
commit
|
commitdiff
|
tree
2020-09-30
Pasc
a
l Merz
Fix #3655
commit
|
commitdiff
|
tree
2020-09-29
Paul
Bauer
Fix doxygen warnings
commit
|
commitdiff
|
tree
2020-09-29
e
jjor
d
an
Fail
g
racefully wh
e
n nblib cannot be built
commit
|
commitdiff
|
tree
2020-09-29
Joe
J
o
rdan
A
dd nblib backend
:
P
a
rt 2 of 2
commit
|
commitdiff
|
tree
2020-09-29
P
a
ul B
a
ue
r
A
d
d post subm
i
t
r
ules to CI
commit
|
commitdiff
|
tree
2020-09-28
A
l
an
G
ray
Remove
s
i
ngle-dim
e
nsio
n
limitation from GPU halo
exch
a
nge
commit
|
commitdiff
|
tree
2020-09-28
Andrey Aleksee
n
k
o
Fix error in
ensureRe
f
erenceCou
n
t
commit
|
commitdiff
|
tree
2020-09-27
Pascal
Merz
Compar
e
traject
o
ri
e
s to re
f
erence d
a
ta
commit
|
commitdiff
|
tree
2020-09-23
Mark Ab
r
aham
Report n
a
me of miss
i
n
g
O
penCL kernels
commit
|
commitdiff
|
tree
2020-09-21
Mark Abraham
W
rong logic was used
commit
|
commitdiff
|
tree
2020-09-21
Pau
l
B
auer
Add
O
penSS
H
to do
c
s build images
commit
|
commitdiff
|
tree
2020-09-16
Berk H
e
ss
Remove un
n
e
c
essary condition in DD for
c
e buffer resizing
commit
|
commitdiff
|
tree
2020-09-15
Paul
B
auer
Fix mi
s
sing in
s
talled files for OpenC
L
PM
E
commit
|
commitdiff
|
tree
2020-09-15
E
r
ik Lindahl
Fix m
i
nor
warnings notice
d
by Intel
c
o
mpilers
commit
|
commitdiff
|
tree
2020-09-15
Art
e
m Zhmurov
F
ix VSite
o
ut of ra
n
ge error
mess
a
ge
commit
|
commitdiff
|
tree
2020-09-11
Pau
l
Bauer
Remove lefto
v
er da
t
a
a
fter refactoring
commit
|
commitdiff
|
tree
2020-09-11
Paul B
a
u
e
r
Fix doxygen for unused parameters
.
commit
|
commitdiff
|
tree
2020-09-10
Gil
l
es Gouai
l
lardet
fix check_a
s
sig
n
_
in
t
eractions_atom()
commit
|
commitdiff
|
tree
2020-09-10
P
a
ul Bauer
Minor fix to t
h
e p
r
i
nt
o
ut for
r
e
gtest builds
commit
|
commitdiff
|
tree
2020-09-10
A
r
te
m
Zhmu
r
ov
Use dev
i
ce
i
nformation
o
bject instead o
f
id when performing
.
.
.
commit
|
commitdiff
|
tree
2020-09-10
J
o
e Jordan
Replace GMX_ASSERT
wi
t
h asse
r
t in
v
ec
t
ypes
.
h
commit
|
commitdiff
|
tree
2020-09-09
Artem Zhmu
r
ov
R
estore GMX_FORCE_UPDATE_DEFAULT_GPU environment varible
.
.
.
commit
|
commitdiff
|
tree
2020-09-08
Andrey
A
lekseenko
Fix clang-t
i
dy warni
n
g
commit
|
commitdiff
|
tree
2020-09-08
A
n
dre
y
Ale
k
seenk
o
F
i
x "GPU detect
i
on d
e
a
ctiva
t
ed" mes
s
age when it in
.
.
.
commit
|
commitdiff
|
tree
2020-09-07
Christi
a
n Bl
a
u
Fix
c
lang-
f
ormat failure in c
o
ord
i
natetransformation
.
h
commit
|
commitdiff
|
tree
2020-09-07
Artem Zhmur
o
v
Fix
cl
a
ng-for
m
at
commit
|
commitdiff
|
tree
2020-09-02
B
erk Hess
Move
l
isted and
w
al
l
f
orce
s
out o
f
do_
f
orce
_
l
owlevel()
commit
|
commitdiff
|
tree
2020-08-27
M
.
Eric Irrgang
Us
e
a
heap o
b
j
ect for inputrec in
gmx
:
:
M
d
r
unner::mdrunner()
.
commit
|
commitdiff
|
tree
2020-08-20
Alan Gray
F
ix bug
i
n Lin
c
s GPU setup
commit
|
commitdiff
|
tree
2020-08-17
Mark
Abra
h
a
m
Fix isHostMe
m
o
ryPinned for
ch
a
nges in
C
UDA 1
1
.
0
commit
|
commitdiff
|
tree
2020-08-07
A
lan Gray
R
evert "Modernize STL u
s
a
ge" for fixe
d
CapacityVector
commit
|
commitdiff
|
tree
2020-07-30
M
.
Er
i
c I
r
rgang
Remove d
i
sab
l
e
d
test
f
or su
p
erseded feature
.
commit
|
commitdiff
|
tree
2020-07-27
Artem Zhmurov
Fix clang-tidy warning
commit
|
commitdiff
|
tree
2020-07-24
Simon Christ
Assert
i
on strin
g
and typo fix
commit
|
commitdiff
|
tree
2020-07-07
Christian Blau
Mo
v
e finalising rou
t
ine
into mtop
commit
|
commitdiff
|
tree
2020-07-07
Paul Bauer
Mo
v
e densi
t
yf
i
tt
i
ng to
its own directory
commit
|
commitdiff
|
tree
2020-07-07
Kevin Boyd
Add stricte
r
AS
A
N
c
h
e
c
ks
commit
|
commitdiff
|
tree
2020-06-29
Paul
B
auer
Ma
k
e ever
y
thing r
u
n on Gitlab infrastru
c
tur
e
.
commit
|
commitdiff
|
tree
2020-06-24
Paul Baue
r
Fix warning about ne
e
ding confi
g
.
h
commit
|
commitdiff
|
tree
2020-06-16
Artem
Zhmurov
Add missing e
n
d
-
o
f-l
i
ne i
n
th
e
GPU
update assignment
.
.
.
commit
|
commitdiff
|
tree
2020-06-05
Artem Zhmuro
v
M
ove c
a
lculation of kinetic ener
g
y to md_support
commit
|
commitdiff
|
tree
2020-06-05
P
a
ul Bauer
Fix faili
n
g
w
e
bpa
g
e b
u
ild
commit
|
commitdiff
|
tree
2020-06-04
Artem Zhmurov
Make a error
message les
s
con
f
u
s
i
n
g
commit
|
commitdiff
|
tree
2020-06-04
Artem
Zhmurov
Update the
r
elease not
e
s
commit
|
commitdiff
|
tree
2020-06-03
Berk Hess
Fix mi
s
s
i
ng PBC
in SH
A
KE
commit
|
commitdiff
|
tree
2020-05-29
Paul
B
a
uer
Add test for
I
nteract
i
onL
i
st
commit
|
commitdiff
|
tree
2020-05-25
Artem Z
h
murov
Remove d
e
pendenc
e
on t
_
mdatom
s
from
G
P
U versio
n
o
f
.
.
.
commit
|
commitdiff
|
tree
2020-05-23
Artem Zhmurov
Remove dependenc
e
on t_
m
datoms fro
m
pull
code
commit
|
commitdiff
|
tree
2020-05-22
Art
e
m Zhmu
r
o
v
Remove dependence
o
f constraints on t_mdato
m
s
commit
|
commitdiff
|
tree
2020-05-20
Pa
u
l Bauer
F
ix compile
errors
commit
|
commitdiff
|
tree
2020-05-20
M
.
Eric Irr
g
ang
M
a
k
e sure i
m
ages have /usr/bin/python
commit
|
commitdiff
|
tree
2020-05-19
B
e
rk
Hess
Refactor print_m
i
ssing_interactions()
commit
|
commitdiff
|
tree
2020-05-19
Paul Baue
r
Remove unnecessar
y
i
n
cludes of
a
rrayref
.
h
commit
|
commitdiff
|
tree
2020-05-11
Artem Zhmurov
Remove the dupli
c
at
i
ng note from th
e
release notes
commit
|
commitdiff
|
tree
2020-04-29
A
rtem Zhmurov
F
i
x
the number of
ste
p
s
chec
k
when checkpoint is
lo
a
ded
commit
|
commitdiff
|
tree
2020-04-29
M
a
r
k
Abraham
F
ix
e
d several
c
lang-tidy issues
commit
|
commitdiff
|
tree
2020-04-16
Artem Zhmurov
New cool quote
commit
|
commitdiff
|
tree
2020-04-01
Mark Abraham
F
ix
m
inor bug with
tools time-
u
ni
t
con
v
ersions
commit
|
commitdiff
|
tree
2020-03-25
Artem Zh
m
urov
Make use of the Device
S
t
reamManager
commit
|
commitdiff
|
tree
2020-03-20
A
rtem Zh
m
urov
Add O
p
enCL error reporting
t
o GPU re
g
ion timer
commit
|
commitdiff
|
tree
2020-03-19
Szilá
r
d
P
áll
Fix DLB initial state reporting
commit
|
commitdiff
|
tree
2020-03-18
Mark Ab
r
aham
Fix unused variable in PME OpenCL ke
r
nel
commit
|
commitdiff
|
tree
2020-03-18
Artem Zhmurov
M
a
ke som
e
d
oxygen errors m
o
re clear
commit
|
commitdiff
|
tree
2020-03-13
Mark Abraham
Require padded atom da
t
a for PME GPU
commit
|
commitdiff
|
tree
2020-03-11
S
zilárd Páll
R
e
organ
i
ze dipole ca
l
cul
a
tion in d
o
_forc
e
commit
|
commitdiff
|
tree
2020-03-11
Artem Zhmurov
Fix the post-submit failu
r
es
commit
|
commitdiff
|
tree
next