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Refactor CUDA kernel use of tables
2017-03-29
Szilárd Pá
l
l
Refactor CUDA kern
e
l us
e
o
f tables
commit
|
commitdiff
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tree
2017-03-29
S
z
i
l
árd P
á
ll
Add
CUDA
u
ti
l
function for constant
l
oads
commit
|
commitdiff
|
tree
2017-03-25
Szilá
r
d Páll
Conditional tweak in the
n
o
nbonded
G
P
U kernels
commit
|
commitdiff
|
tree
2017-03-17
Szilárd Páll
Allow
b
yp
a
ssing OpenCL dev
i
ce compatibility check
commit
|
commitdiff
|
tree
2017-03-16
Szilárd Pál
l
Pr
i
n
t
code of unknown Open
C
L error
commit
|
commitdiff
|
tree
2017-03-09
S
z
ilá
r
d P
á
ll
Fix mdrun han
g
i
n
g upon exit wi
t
h s
e
p
PM
E
ranks
commit
|
commitdiff
|
tree
2017-01-24
Sz
i
lárd
Pál
l
Remove
unused argument
in G
P
U kernels
commit
|
commitdiff
|
tree
2016-12-09
Sz
i
lárd Páll
Turn off hwl
o
c sup
p
o
r
t
wh
e
n static lib found
commit
|
commitdiff
|
tree
2016-11-17
Szilár
d
P
áll
Correct kerne
l
launch
bo
u
nd
s
f
or
C
UDA sm
_
60
commit
|
commitdiff
|
tree
2016-11-01
Szilárd Páll
Mer
g
e "M
e
rge br
a
nch release-
2
016
"
commit
|
commitdiff
|
tree
2016-10-28
S
z
ilárd Páll
GPU-re
l
ate
d
additi
o
ns to
t
h
e in
s
t
all/user guide
commit
|
commitdiff
|
tree
2016-10-27
S
zi
l
árd Páll
Make -cl
-
fast-relaxed-math de
f
ault
commit
|
commitdiff
|
tree
2016-10-26
Szilárd
P
áll
Ad
d
GM
X
_DIS
A
BLE
_
GPU
_
TIMING env var
commit
|
commitdiff
|
tree
2016-10-09
Szilárd
P
áll
Correct kernel l
a
unch bounds
for C
U
DA sm_60
commit
|
commitdiff
|
tree
2016-08-27
Szilárd
P
áll
Make
A
SAN/TSAN
/
MSAN build types easier
t
o discover
commit
|
commitdiff
|
tree
2016-07-08
Szil
á
rd Páll
A
d
d PDF metadat
a
t
o
the manual
commit
|
commitdiff
|
tree
2016-07-08
Szilárd Páll
User g
u
i
d
e
c
larifi
c
ations
commit
|
commitdiff
|
tree
2016-07-07
Sz
i
lá
r
d Páll
A
d
d user guid
e
info
on
C
UD
A
applica
t
i
on
c
lo
c
k
s
commit
|
commitdiff
|
tree
2016-07-05
S
z
ilárd Páll
Docum
e
nt GMX
_
GPU_APPLIC
A
TION_CLOCKS
commit
|
commitdiff
|
tree
2016-07-04
Szilárd Pá
l
l
Disable
N
VIDIA
JIT cache with Open
C
L
commit
|
commitdiff
|
tree
2016-06-14
Szilárd P
á
l
l
F
ix CUDA bu
i
ld w
i
th multiple compilation units
commit
|
commitdiff
|
tree
2016-06-05
Szilárd Páll
Add support for CU
D
A
C
C 6
.
0/6
.
1
commit
|
commitdiff
|
tree
2016-06-02
Szilárd Páll
Add e
n
v
.
v
ar
.
to e
n
able
O
p
e
nCL caching
commit
|
commitdiff
|
tree
2016-06-02
Szilárd Pál
l
Fix O
p
en
C
L
binary cache
f
i
le
n
a
me generation
commit
|
commitdiff
|
tree
2016-05-05
Szilárd P
á
ll
Re
m
o
ve CUDA
hos
t
compi
l
er
c
o
nsistency
che
c
ks
commit
|
commitdiff
|
tree
2016-04-28
Szilárd P
á
ll
Workaro
u
nd for gcc false
pos
i
tive warning
commit
|
commitdiff
|
tree
2016-04-27
S
zilá
r
d Páll
Fix
m
u
ltiple MPI ranks pe
r
n
o
de with OpenCL
commit
|
commitdiff
|
tree
2016-04-26
S
z
ilá
r
d Páll
Fix OpenCL as
s
e
r
tion
commit
|
commitdiff
|
tree
2016-04-19
Szilá
r
d P
á
ll
Move out CUDA
p
r
of
i
ler triggers from NBNXN
commit
|
commitdiff
|
tree
2016-04-13
Szil
á
rd Páll
Spelling fi
x
e
s
commit
|
commitdiff
|
tree
2016-04-13
S
z
i
lárd Páll
D
o
not cre
a
te empty man/
m
an7 directory
commit
|
commitdiff
|
tree
2016-04-04
Szi
l
árd Páll
Mark more va
r
iables a
s
advanced
commit
|
commitdiff
|
tree
2016-03-31
Szilárd Páll
refact
o
r
C
UDA
te
x
ture-ba
s
ed table initialization
commit
|
commitdiff
|
tree
2016-03-31
Szi
l
a
r
d
P
all
avoid C
P
U oversubscription with GPUs
commit
|
commitdiff
|
tree
2016-03-31
Szilárd Páll
Fix multiple tMPI ran
k
s per
OpenCL
d
e
vice
commit
|
commitdiff
|
tree
2016-03-30
S
z
ilárd
Páll
L
J
combination rule
k
ernels for OpenCL
commit
|
commitdiff
|
tree
2016-03-30
Szilárd Pál
l
R
e
-enable i-atom type l
o
cal mem prefetc
h
i
n O
p
enCL
commit
|
commitdiff
|
tree
2016-03-30
S
z
i
lárd P
á
ll
D
e
scribe AMD APPSDK
3
.
0 issu
e
s
i
n the
g
ui
d
e
commit
|
commitdiff
|
tree
2016-03-17
Szil
á
rd Páll
Fixed O
p
enCL e/fs
h
ift cle
a
r kernel first
invo
c
ation
commit
|
commitdiff
|
tree
2016-02-26
S
zilár
d
Páll
Fix lefto
v
er load() calls in the
simd util headers
commit
|
commitdiff
|
tree
2016-02-19
Szilárd Páll
Fix Op
e
nCL t
a
ble inte
r
polations of Ewald corre
c
t
i
o
n
commit
|
commitdiff
|
tree
2016-02-17
Szilárd
P
á
ll
reintroduce superc
l
i
n
te
r
ac
t
ion mask
constant
commit
|
commitdiff
|
tree
2016-02-17
Szilárd P
á
l
l
c
hange macros t
o
c
o
n
s
tants in GPU code
commit
|
commitdiff
|
tree
2016-02-15
Szilárd Páll
Allo
w
GMX
_
N
B
_MIN_
C
I=0 to be pas
s
e
d
commit
|
commitdiff
|
tree
2016-02-11
S
z
il
á
rd Páll
R
e-enable LJ-PME + Lorentz-Bert
h
elot on G
P
Us
commit
|
commitdiff
|
tree
2016-02-08
S
zilárd Páll
H
andle unifor
m
l
y GMX
_
O
C
L
_
N
OGENC
A
CHE
commit
|
commitdiff
|
tree
2016-02-06
Szilard Pall
Us
e
cudaLaunchKer
n
el with CUDA 7
.
0 and
later
commit
|
commitdiff
|
tree
2016-01-26
Szilár
d
P
á
ll
GPU code reor
g
aniz
a
t
ion and twe
a
ks
commit
|
commitdiff
|
tree
2016-01-20
Szilárd Pá
l
l
M
erge remote-tracki
n
g bra
n
ch 'or
i
gin/release-5-1'
into
.
.
.
commit
|
commitdiff
|
tree
2016-01-05
Sz
i
lard Pall
remove du
p
lica
t
e macros and ena
b
le Wundef
in CUDA
commit
|
commitdiff
|
tree
2016-01-01
S
z
i
la
r
d Pa
l
l
Fix xlc+CUDA workaround in gmxManageNvccCo
n
fig
commit
|
commitdiff
|
tree
2015-12-26
Szilard
P
all
Improve documentation on OpenCL
i
ssue with
NVI
D
I
A
commit
|
commitdiff
|
tree
2015-12-13
Szilard Pall
O
p
e
nCL code c
l
e
a
n
up
commit
|
commitdiff
|
tree
2015-11-04
Szilard Pall
Tweak NVM
L
-
related mess
a
ge
s
commit
|
commitdiff
|
tree
2015-11-02
S
z
ilard Pall
Fix signal type
commit
|
commitdiff
|
tree
2015-11-01
Szil
a
rd Pall
Fix bug in cycle
s
ubcounter manag
e
ment
commit
|
commitdiff
|
tree
2015-10-24
Sz
i
l
ard Pall
Avoid usi
n
g incompatible NVML
v
e
rsion
commit
|
commitdiff
|
tree
2015-10-22
Szil
a
r
d
Pall
Quiet FindNVML
commit
|
commitdiff
|
tree
2015-10-15
Szilárd Páll
Add CUD
A
nvcc >=
7
.
0 support
commit
|
commitdiff
|
tree
2015-10-15
Szil
á
rd P
á
ll
Correct CUDA version comparisons
commit
|
commitdiff
|
tree
2015-10-15
Szilard
Pa
l
l
Fix re
s
et error message
commit
|
commitdiff
|
tree
2015-09-27
Szilard
P
all
Tweak the CUD
A
GPU
shared
mem/L1 conf
i
g
commit
|
commitdiff
|
tree
2015-09-17
Szilard Pall
Fix b
r
oken OpenCL de
t
ection
commit
|
commitdiff
|
tree
2015-09-16
Szilard Pall
Fix OpenCL build
commit
|
commitdiff
|
tree
2015-08-13
Szi
l
a
r
d Pall
a
dd clFlush to kick of O
p
enCL work
commit
|
commitdiff
|
tree
2015-07-02
Szilard P
a
ll
Fix OpenCL compilation
e
rr
o
rs
.
commit
|
commitdiff
|
tree
2015-06-29
Szilard Pall
Fi
x
CUDA inter-stream
s
ynchroni
z
ation
i
ssue
commit
|
commitdiff
|
tree
2015-06-27
Szilard Pall
Fix CUDA a
r
chitecture dependent iss
u
es
commit
|
commitdiff
|
tree
2015-06-25
Sz
i
lard
P
al
l
Add
missin
g
macr
o
un
d
e
f
in C
U
DA
N
B
kernel
commit
|
commitdiff
|
tree
2015-06-21
S
z
ilard Pall
fix CPU co
r
e oversub
s
cription
d
etection
commit
|
commitdiff
|
tree
2015-06-17
S
z
ilard P
a
ll
fix minor CUDA
N
B kern
e
l perfor
m
a
n
ce regr
e
ssion
commit
|
commitdiff
|
tree
2015-06-08
Szil
a
rd Pall
add l
a
st
two GROM
A
CS
p
aper
c
i
t
ations
commit
|
commitdiff
|
tree
2015-06-06
Sz
i
lard Pall
Opti
m
ize atom
i
c accumulat
i
on in CU
D
A NB kernel
commit
|
commitdiff
|
tree
2015-05-15
Szi
l
ard P
a
ll
Ass
e
rt the
s
ize
o
f non-bon
d
ed GPU
w
ork
u
n
i
ts
commit
|
commitdiff
|
tree
2015-05-14
S
zilard Pall
Merge
re
l
ease-4-6 i
n
to release-5-0
commit
|
commitdiff
|
tree
2015-05-13
Szilard Pall
Fix auto-downloade
d
regre
s
s
io
n
te
s
t ex
e
cuti
o
n
commit
|
commitdiff
|
tree
2015-05-06
S
zilárd
P
á
ll
Merge "
M
erge release-4-6 into release-5-0
"
into release
-
5-
0
commit
|
commitdiff
|
tree
2015-01-16
Szilard Pall
Improve
and clarify mdrun behavior with nstep
s
<0
commit
|
commitdiff
|
tree
2014-12-10
Szilard
Pall
Fix nstep comm
a
nd line override print
commit
|
commitdiff
|
tree
2014-06-01
S
z
ilárd
P
ál
l
Add quote on the kT-kj
/
mol
c
on
v
er
s
i
o
n factor
commit
|
commitdiff
|
tree
2014-03-11
S
zilárd Páll
Bump required CUD
A
version to
4
.
0
commit
|
commitdiff
|
tree
2014-03-01
Sz
i
lard Pall
Ad
d
ed CUDA LJ-PME nbnxn kernels
commit
|
commitdiff
|
tree
2014-02-28
S
z
ilard P
a
ll
Improved CUDA non-bonded kernel perf
o
r
man
c
e
commit
|
commitdiff
|
tree
2014-02-27
Szilard Pall
CUDA ke
r
ne
l
s f
o
r switched
L
J
commit
|
commitdiff
|
tree
2014-02-21
Szilard Pall
portability a
s
pects in ins
t
all guide + minor tweaks
commit
|
commitdiff
|
tree
2013-12-02
Szilard Pall
r
e
m
o
ve lega
c
y CUDA non-bonded kernels
commit
|
commitdiff
|
tree
2013-11-19
Szilárd Pá
l
l
Fix
DD
load b
a
lancing bug with GPU
s
h
a
r
ing
commit
|
commitdiff
|
tree
2013-11-13
Szilard Pall
Clarified GPU s
e
l
e
ction output and mdr
u
n
help
commit
|
commitdiff
|
tree
2013-11-06
S
zila
r
d Pall
enabl
e
GPU sharin
g
among tM
P
I
r
an
k
s
commit
|
commitdiff
|
tree
2013-10-15
Sz
i
l
ard Pall
make
u
se of CUDA stream priorities
commit
|
commitdiff
|
tree
2013-09-29
S
zilar
d
Pall
allo
w
compilation to optimi
z
e
f
or C
U
DA compute cap
.
.
.
commit
|
commitdiff
|
tree