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
Rename SettleCuda to SettleGpu
2020-01-20
Artem Zhmu
r
o
v
Rename
S
et
t
leCuda to
SettleGpu
commit
|
commitdiff
|
tree
2019-12-04
Christian Blau
R
em
o
v
e
cu
t
off-sc
h
eme g
r
oup from
default mdout
.
m
d
p output
commit
|
commitdiff
|
tree
2019-11-26
Artem Zh
m
uro
v
Remove the PBC manag
e
ment from LINCS, SETTLE
a
nd Leap
.
.
.
commit
|
commitdiff
|
tree
2019-10-31
Berk Hess
Update GPU update restrictions
commit
|
commitdiff
|
tree
2019-10-30
Jonathan V
i
n
c
ent
Update
P
M
E CUDA s
p
read/
g
ather
commit
|
commitdiff
|
tree
2019-10-29
Artem Zhm
u
rov
Switch the
G
P
U
b
u
ffe
r
ops on when
update is on GPU
commit
|
commitdiff
|
tree
2019-10-28
A
rtem
Z
hmu
r
ov
Fix missing coordinate D2H copy with
GPU upd
a
te and
.
.
.
commit
|
commitdiff
|
tree
2019-10-28
Artem Zhmurov
Add haveCp
u
Local
F
orce
s
flag
to DomainLifetimeWorkload
commit
|
commitdiff
|
tree
2019-10-28
Artem Zh
m
u
r
ov
Allow
u
s
i
ng update flag
commit
|
commitdiff
|
tree
2019-10-22
A
rtem Zhmu
r
ov
Remove un
n
ecessa
r
y C
U
D
A stream
s
ynchronization calls
commit
|
commitdiff
|
tree
2019-10-22
Artem Zhmurov
Rena
m
e have
P
ositionR
e
straints(
.
.
.
) to h
a
veRestraints
.
.
.
commit
|
commitdiff
|
tree
2019-10-21
Szilárd Pál
l
Remove unsupported config
s
from the gpuupd
a
te
m
atr
i
x
commit
|
commitdiff
|
tree
2019-10-21
Alan G
r
ay
G
P
U C
o
ordinate
P
ME/PP Commun
i
ca
t
i
o
ns
commit
|
commitdiff
|
tree
2019-10-18
Ala
n
Gray
GPU Receive for PME/PP GPU Force
Commun
i
cat
i
ons
commit
|
commitdiff
|
tree
2019-10-18
P
a
ul Bauer
U
s
e cl
a
ng
-
tidy-
8
commit
|
commitdiff
|
tree
2019-10-17
Szilárd Páll
Fi
x
clang
-
tid
y
warn
i
ngs in gpuhaloexchange_i
m
pl
.
cu
h
commit
|
commitdiff
|
tree
2019-10-15
Szilárd Pá
l
l
Tri
g
ger synchronizer w
h
en local
for
c
es ar
e
ready
commit
|
commitdiff
|
tree
2019-10-15
Artem
Z
hmurov
Fix
the sin
g
le-G
P
U up
d
at
e
-cons
t
raints
commit
|
commitdiff
|
tree
2019-10-10
Sz
i
lárd Páll
Fix conditions fo
r
b
u
ilding StatePropagat
o
rDataGpu
commit
|
commitdiff
|
tree
2019-10-10
S
z
ilárd Pál
l
Construct
a
struct
w
ith develo
p
m
e
nt fea
t
ure
fla
g
s
commit
|
commitdiff
|
tree
2019-10-03
Berk Hes
s
Fix GPU atom data
i
nit timer issue
commit
|
commitdiff
|
tree
2019-10-02
Art
e
m Zhmurov
Elimi
n
at
e
D2D copy in updat
e
constr
a
i
n
ts
commit
|
commitdiff
|
tree
2019-09-25
Szilárd P
á
ll
Merge
r
emo
t
e
-tracking br
a
n
c
h
'origi
n
/re
l
ea
s
e
-2019'
commit
|
commitdiff
|
tree
2019-09-18
Szilá
r
d Páll
Set up workload data
s
tructures
commit
|
commitdiff
|
tree
2019-09-18
Paul B
a
uer
Fix
M
SV
C
warning
commit
|
commitdiff
|
tree
2019-09-17
P
a
ul Bauer
Add deprecati
o
n
note for 3
2
bit
commit
|
commitdiff
|
tree
2019-09-16
Szi
l
árd Pál
l
R
e
factor GP
U
buf o
p
s-
r
e
lated la
u
nches
in do_force()
commit
|
commitdiff
|
tree
2019-09-13
Sz
i
lárd Pá
l
l
Fix GPU X buffer ops with emp
t
y
domain
commit
|
commitdiff
|
tree
2019-09-11
Artem Zhmurov
Decouple coordi
n
ates buf
f
e
r ma
n
a
gement fr
o
m buffer
.
.
.
commit
|
commitdiff
|
tree
2019-09-11
Art
e
m
Zhm
u
ro
v
Reor
g
anize
P
ME code:
commit
|
commitdiff
|
tree
2019-09-11
S
z
ilá
r
d P
á
ll
Fix gpucomm matrix
commit
|
commitdiff
|
tree
2019-09-06
Mark Abraham
Cle
a
n
up commrec uniforml
y
commit
|
commitdiff
|
tree
2019-09-04
Berk Hess
Colle
c
t
s
etting
s
f
o
r DD in DDSetti
n
g
s
commit
|
commitdiff
|
tree
2019-09-03
Berk Hess
Remove gmx_domdec_t from d
d
_choose_g
r
i
d
()
commit
|
commitdiff
|
tree
2019-09-03
Berk Hess
E
x
tact UnitCe
l
lInfo
from
gmx_domd
e
c
_t
commit
|
commitdiff
|
tree
2019-09-02
M
a
rk Abrah
a
m
Move ini
t
iali
z
ation of
clFFT
commit
|
commitdiff
|
tree
2019-08-26
M
ark Ab
r
aham
Converted
a
C
U
DA con
f
i
g to use clan
g
ho
s
t-only compi
l
ation
commit
|
commitdiff
|
tree
2019-08-23
Szilárd Páll
Fix clang t
i
dy wa
r
ni
n
gs in CUDA b
u
ild
commit
|
commitdiff
|
tree
2019-08-21
Mark Ab
r
aham
Improve o
r
ga
n
iz
a
t
i
on of LINCS reporting
commit
|
commitdiff
|
tree
2019-08-15
Ala
n
G
ray
PME reduc
t
ion for CU
D
A F bu
f
fer operati
o
ns
commit
|
commitdiff
|
tree
2019-08-12
Szilárd P
á
ll
Fix hwloc find
p
ackage naming and quietness
i
ssues
commit
|
commitdiff
|
tree
2019-07-26
Berk He
s
s
Remov
e
sh_invrc6 from in
t
er
a
ctio
n
_const_t
commit
|
commitdiff
|
tree
2019-07-19
Alan G
r
ay
F buffer
o
perations
in
C
UD
A
commit
|
commitdiff
|
tree
2019-07-16
Mark
A
braham
Add g
p
ubu
f
f
ero
p
s te
s
t m
a
t
rix
commit
|
commitdiff
|
tree
2019-07-11
Szil
á
rd Páll
Use HostVector for Grid/GridSet da
t
a need on-GPU
commit
|
commitdiff
|
tree
2019-07-04
Szilárd
Pá
l
l
Bump late
s
t CUDA + gcc
in the pre-submit matrix
commit
|
commitdiff
|
tree
2019-07-04
Szil
á
rd Pá
l
l
Fix a -Wformat-truncation warning
i
n tng
commit
|
commitdiff
|
tree
2019-07-01
Alan Gray
Bug fix and simplification for C
U
DA
X
Buffer Ops
commit
|
commitdiff
|
tree
2019-06-17
Berk
Hess
Simpl
i
fy GPU nbnxm x conversion
commit
|
commitdiff
|
tree
2019-05-22
A
lan Gra
y
C
o
d
e quality im
p
rovements f
o
r CUDA
position buff
e
r ops
commit
|
commitdiff
|
tree
2019-05-20
S
zi
l
árd
Páll
Improv
e
X buffe
r
ops kernel
commit
|
commitdiff
|
tree
2019-05-10
Alan
G
ray
Positio
n
buffer ops
i
n CUDA
commit
|
commitdiff
|
tree
2019-03-27
Berk Hess
Fix
nbnxm OpenCL with cluster
s
ize 4
commit
|
commitdiff
|
tree
2019-02-07
Szilá
r
d
Páll
Require a 64
-
bit platform for O
p
enCL
commit
|
commitdiff
|
tree
2019-01-18
Mark Abraham
Improve nvcc error reporting
commit
|
commitdiff
|
tree
2019-01-02
Szilá
r
d Páll
Fix clang
6 warning
commit
|
commitdiff
|
tree
2018-12-31
Szilárd Páll
Fix release note
s
typo
commit
|
commitdiff
|
tree
2018-12-20
S
z
ilárd
Pá
l
l
Merge
"Merge b
r
anch release-2
0
18 into release-2019
.
.
.
commit
|
commitdiff
|
tree
2018-12-18
S
z
ilárd Páll
Merge release-201
9
bra
n
ch
i
nto m
a
ster
commit
|
commitdiff
|
tree
2018-12-18
Berk H
e
ss
U
se std:
:
vector in LINCS
commit
|
commitdiff
|
tree
2018-12-17
S
z
ilárd Pá
l
l
Fix GMX
_
BUI
L
D
_O
W
N
_
FFTW_URL C
M
ake
c
ache entry typ
e
commit
|
commitdiff
|
tree
2018-12-17
Paul Bauer
Add matrix e
n
try t
o
t
est
external F
F
TW buil
d
commit
|
commitdiff
|
tree
2018-12-17
Paul Bauer
Fix FFTW build
commit
|
commitdiff
|
tree
2018-12-13
Szi
l
árd Páll
Av
o
i
d
spurio
u
s
timing in bond
e
d GP
U
launch subcounter
commit
|
commitdiff
|
tree
2018-11-26
Mark
Abraham
C
l
ean up initial log
output
commit
|
commitdiff
|
tree
2018-11-22
Mark
A
brah
a
m
Introduce PpFor
c
e
W
o
r
k
load
commit
|
commitdiff
|
tree
2018-11-07
Szilá
r
d
Pá
l
l
Re-en
a
ble the armclang post-sub
m
it bu
i
ld
commit
|
commitdiff
|
tree
2018-11-07
M
a
rk Abra
h
a
m
Supp
r
e
s
s clan
g
wa
r
nings about QMMM cod
e
commit
|
commitdiff
|
tree
2018-11-01
Mark Ab
r
aham
Sto
p
using hwloc on old
A
R
M
slave
commit
|
commitdiff
|
tree
2018-10-31
Berk Hess
Pin importan
t
buffe
r
s
i
n CUDA bondeds
commit
|
commitdiff
|
tree
2018-10-22
Mark Abraham
Fix
clang CUDA w
a
rnings
commit
|
commitdiff
|
tree
2018-10-14
Szi
l
árd
Pá
l
l
Fix
more c
l
an
g
-6 warnings in CU
D
A code
commit
|
commitdiff
|
tree
2018-10-08
Roland Sch
u
lz
Fix OCL
c
ompiler warnings
commit
|
commitdiff
|
tree
2018-10-08
Rolan
d
Sch
u
l
z
Rem
o
ve majority of OCL com
m
and line
c
onstan
t
s
commit
|
commitdiff
|
tree
2018-10-07
Szi
l
á
r
d Páll
Use
new G
P
U
s
l
a
v
e for AMD OpenCL verify
runs
commit
|
commitdiff
|
tree
2018-10-05
Roland Schulz
F
ix mul
t
iple bug
s
detected on
W
i
n
d
ows
commit
|
commitdiff
|
tree
2018-10-04
R
o
l
a
nd Schulz
Use subgroup for
w
arp_any and
C
J4 prefetch
commit
|
commitdiff
|
tree
2018-10-04
Mark Abrah
a
m
Repl
a
ce CUDA call depre
c
ate
d
in CUDA 10
commit
|
commitdiff
|
tree
2018-09-27
Roland Schulz
Recognize Int
e
l GP
U
a
s compatibl
e
commit
|
commitdiff
|
tree
2018-09-13
Roland
S
c
hu
l
z
Remove
s
parc64_hpc_ace nonbonded kerne
l
s
commit
|
commitdiff
|
tree
2018-09-07
Ma
r
k
A
braham
Minor fixes t
o
GPU build system
commit
|
commitdiff
|
tree
2018-08-27
Aleksei Iupinov
Prepar
e
p
me-gpu-types
.
h
f
or OpenCL
commit
|
commitdiff
|
tree
2018-08-21
S
zilá
r
d
P
áll
Requ
e
st flushing deno
r
ms to zer
o
in OpenCL
commit
|
commitdiff
|
tree
2018-06-25
Alekse
i
Iup
i
n
ov
Move vectype_ops
.
c
lh into
gp
u
_utils
commit
|
commitdiff
|
tree
2018-06-25
Al
e
ksei
I
u
p
inov
Move
the PME GPU kernel launch functio
n
s into pme-g
p
u
.
.
.
commit
|
commitdiff
|
tree
2018-05-31
Alekse
i
I
u
pinov
PME OpenCL
3D FFT tra
n
sform is implem
e
n
t
ed,
u
sing clFFT
commit
|
commitdiff
|
tree
2018-05-30
Aleksei
Iup
i
nov
Make PME
G
PU structure
s
use DeviceBu
f
fer
commit
|
commitdiff
|
tree
2018-05-29
Szilárd
Páll
Sw
i
tch
to CUDA 9
.
2
+
gcc 7
commit
|
commitdiff
|
tree
2018-04-20
Szi
l
árd Páll
Minor fi
x
for pre-
s
ubmi
t
matrix docs
commit
|
commitdiff
|
tree
2018-04-19
Szilá
r
d
P
ál
l
Move t
h
e PME GPU cle
a
rin
g
to
th
e
end of the step
commit
|
commitdiff
|
tree
2018-04-18
Mark A
b
r
a
ham
Introduce
gmx_used_in_debug
commit
|
commitdiff
|
tree
2018-04-13
Szilárd Páll
Use trivalue option fo
r
G
M
X_HWLOC
commit
|
commitdiff
|
tree
2018-03-20
Vedran Miletić
Doc
u
ment matrix
_
convert function in PB
C
commit
|
commitdiff
|
tree
2018-03-12
Szilárd Páll
Avoid icc-specific -ma
r
ch=core-avx2 flag
w
i
t
h gcc/clang
commit
|
commitdiff
|
tree
2018-03-06
Szilárd Páll
Extend "Finding out h
o
w
t
o run mdrun
bet
t
er"
section
commit
|
commitdiff
|
tree
2018-03-06
Alek
s
e
i Iupinov
Isolate P
M
E GP
U
splin
e
p
a
rameter inde
x
ing i
n
i
n
line
.
.
.
commit
|
commitdiff
|
tree
2018-03-05
A
l
eksei Iupinov
Stop
using custom
F
i
n
d
OpenCL
.
c
m
a
k
e
, per TODO
commit
|
commitdiff
|
tree
2018-03-05
Ale
k
sei Iu
p
ino
v
Correct the nbnxn_gp
u
_compile_kernel
s
(
)
do
c
s
commit
|
commitdiff
|
tree
2018-02-21
Szil
á
rd Páll
Switch pre-submit CUDA 8
.
0
test
t
o
9
.
0
commit
|
commitdiff
|
tree
2018-02-20
Szilárd Páll
Avoid abor
t
i
n
g m
d
run
when G
P
U
sanity
c
heck detects
.
.
.
commit
|
commitdiff
|
tree
next