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Fix pair list array assertion
2017-10-05
Szilárd Pál
l
Fix pai
r
list array assertion
commit
|
commitdiff
|
tree
2017-10-05
Szilárd P
á
ll
Avoid -W
m
i
ssing-prototypes warn
i
n
gs in clang
CUDA
b
uilds
commit
|
commitdiff
|
tree
2017-10-03
Szi
l
ár
d
P
á
ll
M
o
v
e Ewald splitting
-
related code to ewald-utils
commit
|
commitdiff
|
tree
2017-10-03
S
z
i
l
árd Páll
Enable compiling CUDA devic
e
code with clang
commit
|
commitdiff
|
tree
2017-09-28
Szilárd
Páll
Corr
e
ct mispl
a
c
e
d CU
D
A tim
i
ng event
r
e
cor
d
commit
|
commitdiff
|
tree
2017-09-26
Szi
l
á
rd Pá
l
l
Re
n
ame
G
PU laun
c
h/wait
c
ycle counters
commit
|
commitdiff
|
tree
2017-09-18
Szilárd
P
á
ll
Mi
n
or re
f
actoring of CUDA non-bonde
d
kernels
commit
|
commitdiff
|
tree
2017-09-14
Szilá
r
d Páll
CUDA 9/Volta support f
o
r
the pruning kernel
commit
|
commitdiff
|
tree
2017-09-12
Szilárd Páll
Merge b
r
anch
'
r
elease-20
1
6'
commit
|
commitdiff
|
tree
2017-09-11
Szilárd Páll
N
V
I
D
IA Volta performance tweaks
commit
|
commitdiff
|
tree
2017-08-29
S
z
ilár
d
Páll
F
ix typo and
tweak
env
v
ar docs
commit
|
commitdiff
|
tree
2017-08-29
Szilárd Páll
Avoid d
i
v
i
sion
by zero is pruning part cal
c
ulation
commit
|
commitdiff
|
tree
2017-08-21
Szilárd Páll
Add
OpenCL pruning ke
r
nels and launch/timing
logic
commit
|
commitdiff
|
tree
2017-08-18
Szilárd P
á
l
l
Improve awkward handling of GM
X
_CUDA_TARGET* help
commit
|
commitdiff
|
tree
2017-08-18
S
z
i
l
á
rd Páll
Add C
U
D
A p
r
uning kerne
l
s and la
u
nch/timing
logic
commit
|
commitdiff
|
tree
2017-07-27
Szilárd
P
áll
I
nform users about the e
n
d of run DLB state
commit
|
commitdiff
|
tree
2017-06-26
Sz
i
lárd P
á
ll
Add ARM_NEON_ASIMD
post-
s
ubmit test
commit
|
commitdiff
|
tree
2017-06-21
Szilárd Páll
Re-ena
b
le lost DD warning + minor code mod
e
r
n
ization
commit
|
commitdiff
|
tree
2017-06-20
Szilárd Páll
Re-e
n
able accidental
l
y
lo
s
t DD warning
commit
|
commitdiff
|
tree
2017-06-20
Szil
á
rd Páll
Refactorin
g
+ clarificatio
n
of DLB
state handling
commit
|
commitdiff
|
tree
2017-06-15
Szilárd Páll
Allow disa
b
l
ing
t
h
e expli
c
it use of CUDA te
x
tures
commit
|
commitdiff
|
tree
2017-06-07
Szilárd Pá
l
l
Suppre
s
s
s
m_
2
x d
e
pr
e
cat
i
on warning with C
U
DA 8
.
0
commit
|
commitdiff
|
tree
2017-06-05
S
zilár
d
Páll
Add C
U
DA 8
.
0 + SIMD
pre-subm
i
t test
commit
|
commitdiff
|
tree
2017-06-02
Szilárd Páll
Add A
R
M_NEO
N
po
s
t-sub
m
it
t
est
commit
|
commitdiff
|
tree
2017-05-29
Szilá
r
d Páll
Quotes are
c
ool, typo-
f
ree o
n
es
are
e
ven "cooler"
commit
|
commitdiff
|
tree
2017-05-23
S
zilárd Páll
A
dd basic doxy
g
en for the V
e
rlet
nonbonded module
commit
|
commitdiff
|
tree
2017-03-29
Sz
i
lárd
P
á
l
l
Re
f
actor CUDA
kernel us
e
of tables
commit
|
commitdiff
|
tree
2017-03-29
Sz
i
l
árd Pá
l
l
Add CUDA util function for
c
onstant loads
commit
|
commitdiff
|
tree
2017-03-25
Szil
á
rd Páll
C
o
ndit
i
onal tweak
i
n the nonbonded GPU ker
n
els
commit
|
commitdiff
|
tree
2017-03-17
Szilárd Páll
Allow by
p
assing
OpenCL devi
c
e compatibi
l
ity
c
h
e
ck
commit
|
commitdiff
|
tree
2017-03-16
Szilárd Páll
P
r
int code of unknow
n
O
penCL
e
r
ro
r
commit
|
commitdiff
|
tree
2017-03-09
Szilárd
P
áll
Fix mdrun hanging
upon ex
i
t
with sep PME ranks
commit
|
commitdiff
|
tree
2017-01-24
Szilárd
Pá
l
l
Remove unused argument in GPU
k
e
rnels
commit
|
commitdiff
|
tree
2016-12-09
S
z
i
lárd Páll
Turn of
f
hwloc suppo
r
t when static li
b
f
o
und
commit
|
commitdiff
|
tree
2016-11-17
Szilá
r
d Páll
Corr
e
ct kerne
l
lau
n
ch b
o
un
d
s for
CUD
A
sm_
6
0
commit
|
commitdiff
|
tree
2016-11-01
Szil
á
rd Páll
Merge "Merge br
a
nc
h
rele
a
se-2016"
commit
|
commitdiff
|
tree
2016-10-28
Szilárd Páll
GP
U
-rel
a
t
ed
a
dditio
n
s to th
e
install
/
user guide
commit
|
commitdiff
|
tree
2016-10-27
Sz
i
lárd Páll
Make -cl-
f
ast-relaxed-
m
at
h
def
a
ult
commit
|
commitdiff
|
tree
2016-10-26
Szilárd Páll
A
dd GMX_DISABLE
_
GPU_TI
M
ING env var
commit
|
commitdiff
|
tree
2016-10-09
Szilárd
P
áll
Correct kernel
launch bounds
f
or CUD
A
sm_60
commit
|
commitdiff
|
tree
2016-08-27
S
z
i
lárd
P
áll
M
a
ke ASA
N
/T
S
AN/MSA
N
build types ea
s
ier to di
s
c
over
commit
|
commitdiff
|
tree
2016-07-08
Sz
i
l
á
r
d
Páll
Add PD
F
metada
t
a to the manual
commit
|
commitdiff
|
tree
2016-07-08
S
zilárd Páll
User guide clarifications
commit
|
commitdiff
|
tree
2016-07-07
S
z
ilá
r
d Páll
Add u
s
er gui
d
e info on C
U
DA
a
pplica
t
ion clocks
commit
|
commitdiff
|
tree
2016-07-05
Szilárd Páll
Doc
u
ment
G
M
X
_GP
U
_APPLICATI
O
N_CL
O
CKS
commit
|
commitdiff
|
tree
2016-07-04
Szilárd Pál
l
Disable NVI
D
IA
J
I
T cache with OpenC
L
commit
|
commitdiff
|
tree
2016-06-14
Szilárd Páll
F
i
x C
U
DA build with multipl
e
co
m
p
ilation
u
n
its
commit
|
commitdiff
|
tree
2016-06-05
Szilárd Pá
l
l
Add support for CUDA C
C
6
.
0/6
.
1
commit
|
commitdiff
|
tree
2016-06-02
Szilár
d
Páll
Add env
.
var
.
t
o
enabl
e
O
p
e
nC
L
c
a
c
h
i
ng
commit
|
commitdiff
|
tree
2016-06-02
Szilárd
Páll
Fix OpenCL
b
i
nary
c
ache file name g
e
n
era
t
ion
commit
|
commitdiff
|
tree
2016-05-05
Szilárd Páll
Remove CUDA host compiler consis
t
ency checks
commit
|
commitdiff
|
tree
2016-04-28
Szilárd Páll
W
o
rkaro
u
nd for gcc false pos
i
tive warning
commit
|
commitdiff
|
tree
2016-04-27
Szilárd Páll
Fix multiple MPI ranks per nod
e
with OpenCL
commit
|
commitdiff
|
tree
2016-04-26
Szilárd Páll
Fix OpenCL
assertion
commit
|
commitdiff
|
tree
2016-04-19
Szi
l
á
r
d Pál
l
M
o
ve out CUDA
p
rofiler
trigg
e
rs from NBNXN
commit
|
commitdiff
|
tree
2016-04-13
Szilárd Páll
S
pelling fixes
commit
|
commitdiff
|
tree
2016-04-13
Szilá
r
d P
á
ll
Do not
c
reate
e
m
pty man/
m
an7 directory
commit
|
commitdiff
|
tree
2016-04-04
Szilárd Páll
Ma
r
k
more variables as advanced
commit
|
commitdiff
|
tree
2016-03-31
Sz
i
lár
d
Pál
l
refac
t
or CUDA t
e
xture-ba
s
ed table initializ
a
tio
n
commit
|
commitdiff
|
tree
2016-03-31
S
z
ilar
d
Pall
avo
i
d
CPU oversu
b
s
cription with GPUs
commit
|
commitdiff
|
tree
2016-03-31
Szilárd Páll
F
ix multipl
e
tMPI
ranks per Ope
n
C
L
device
commit
|
commitdiff
|
tree
2016-03-30
Szilárd
Páll
L
J comb
i
nation r
u
le kernels for OpenCL
commit
|
commitdiff
|
tree
2016-03-30
Szilárd Páll
Re-enable
i-at
o
m type local mem prefetch in
O
p
enCL
commit
|
commitdiff
|
tree
2016-03-30
Szilárd Pál
l
D
escr
i
b
e
A
MD A
P
PSDK 3
.
0 issues i
n
the guide
commit
|
commitdiff
|
tree
2016-03-17
Szilárd
P
áll
Fixed Op
e
nCL e/
f
shift clear k
e
rnel f
i
rst inv
o
c
at
i
on
commit
|
commitdiff
|
tree
2016-02-26
Szilá
r
d
Páll
F
i
x leftove
r
load() calls in the sim
d
u
t
il he
a
ders
commit
|
commitdiff
|
tree
2016-02-19
S
zilárd Páll
Fix OpenCL table
inte
r
p
olation
s
o
f
Ewald correc
t
ion
commit
|
commitdiff
|
tree
2016-02-17
Szilárd Páll
rei
n
troduce su
p
ercl i
n
teraction mask constant
commit
|
commitdiff
|
tree
2016-02-17
S
z
i
l
ár
d
Pá
l
l
change m
a
cros to const
a
nts in GPU code
commit
|
commitdiff
|
tree
2016-02-15
Szilárd Pá
l
l
Allow G
M
X_
N
B_M
I
N_CI
=
0 to be pass
e
d
commit
|
commitdiff
|
tree
2016-02-11
Szilárd
P
áll
R
e
-
enable L
J
-
P
ME + Lo
r
entz-
B
ert
h
elot on
GPUs
commit
|
commitdiff
|
tree
2016-02-08
Szilárd Páll
Handle uniformly
G
MX_
O
CL_NOGENCACHE
commit
|
commitdiff
|
tree
2016-02-06
Szilard Pall
Use cudaLaunchKernel with
C
U
D
A
7
.
0 and later
commit
|
commitdiff
|
tree
2016-01-26
Szilárd
P
á
l
l
GPU code r
e
organization and tweaks
commit
|
commitdiff
|
tree
2016-01-20
S
zilá
r
d Páll
Merge remot
e
-tra
c
king branch 'origin/release-5-1' into
.
.
.
commit
|
commitdiff
|
tree
2016-01-05
Szilard
P
all
remove dup
l
icate m
a
c
r
o
s
and enabl
e
Wundef in CU
D
A
commit
|
commitdiff
|
tree
2016-01-01
S
z
ilard Pall
Fix
x
lc+CUDA workarou
n
d in gmxManageNvccCo
n
fig
commit
|
commitdiff
|
tree
2015-12-26
Szilard
P
all
Improve document
a
tion on OpenCL issue with NVI
D
IA
commit
|
commitdiff
|
tree
2015-12-13
Szilard
Pall
OpenCL co
d
e cl
e
anup
commit
|
commitdiff
|
tree
2015-11-04
S
z
i
l
a
r
d Pall
Tweak NV
M
L-rela
t
e
d messages
commit
|
commitdiff
|
tree
2015-11-02
Szilard
Pall
Fix signa
l
type
commit
|
commitdiff
|
tree
2015-11-01
S
zila
r
d Pall
F
i
x
bug
in
cyc
l
e subcounter management
commit
|
commitdiff
|
tree
2015-10-24
Szilard
P
a
l
l
Avoid usin
g
incompatible
N
VML version
commit
|
commitdiff
|
tree
2015-10-22
Szilard Pall
Q
uiet
F
indNVML
commit
|
commitdiff
|
tree
2015-10-15
Szilárd Páll
Add CU
D
A nvcc >=7
.
0
support
commit
|
commitdiff
|
tree
2015-10-15
Szilárd Pál
l
Corre
c
t CUDA version comparison
s
commit
|
commitdiff
|
tree
2015-10-15
Szilard Pall
Fix res
e
t
e
r
r
or
message
commit
|
commitdiff
|
tree
2015-09-27
S
z
il
a
rd Pall
Tweak the CUDA GPU shared me
m
/
L
1
config
commit
|
commitdiff
|
tree
2015-09-17
Szilard Pal
l
Fix broken OpenCL detec
t
ion
commit
|
commitdiff
|
tree
2015-09-16
Szilard
Pall
Fix OpenCL bu
i
l
d
commit
|
commitdiff
|
tree
2015-08-13
Szilard Pall
add
c
lFlush to kick
of OpenCL
w
o
r
k
commit
|
commitdiff
|
tree
2015-07-02
Szilard Pall
Fi
x
OpenCL com
p
ilation er
r
o
rs
.
commit
|
commitdiff
|
tree
2015-06-29
Szil
a
rd
P
all
F
i
x
CUDA inter-s
t
ream synchronization i
s
sue
commit
|
commitdiff
|
tree
2015-06-27
Szi
l
ard Pa
l
l
Fix CUDA
architec
t
ure
depend
e
nt iss
u
e
s
commit
|
commitdiff
|
tree
2015-06-25
S
z
ilard Pall
Add missing m
a
cro undef i
n
CUDA NB ker
n
e
l
commit
|
commitdiff
|
tree
2015-06-21
Szilard P
a
ll
f
i
x
CPU core
oversubscript
i
on detection
commit
|
commitdiff
|
tree
2015-06-17
Szilard Pall
f
i
x minor CUDA NB kernel performance regression
commit
|
commitdiff
|
tree
2015-06-08
S
zilard Pall
add last two GROM
A
CS paper citations
commit
|
commitdiff
|
tree
2015-06-06
Szilard Pall
Opt
i
mize atomic accumulation in CUDA
NB
kernel
commit
|
commitdiff
|
tree
2015-05-15
Szilard
P
all
Assert the size of non
-
b
o
n
d
ed GPU wor
k
units
commit
|
commitdiff
|
tree
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