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Fix ocl_kernel target
2018-07-29
S
z
ilár
d
P
á
l
l
Corrections to the user
g
uide mdrun perf section
commit
|
commitdiff
|
tree
2018-06-12
Szilá
r
d Páll
Also
i
ssu
e
OMP_NU
M
_THREADS re
a
din
g
note to
t
he log
commit
|
commitdiff
|
tree
2018-06-04
Szil
á
r
d Páll
Fix timin
g
of clF
F
T kern
e
ls
commit
|
commitdiff
|
tree
2018-05-29
Szilárd Páll
Swi
t
c
h
to CUDA 9
.
2 + gcc 7
commit
|
commitdiff
|
tree
2018-04-26
Sz
i
lárd Páll
Bump required CUDA version to 7
.
0
commit
|
commitdiff
|
tree
2018-04-23
Szilárd P
á
ll
Fix
i
cc
warning
in
post-s
u
bmit
commit
|
commitdiff
|
tree
2018-04-21
Szilárd Páll
Ad
d
post-submit with AR
M
HPC To
o
lchain
commit
|
commitdiff
|
tree
2018-04-21
Szilárd Pál
l
Tw
e
ak PME run
m
o
de checks
commit
|
commitdiff
|
tree
2018-04-20
S
zil
á
rd Páll
Minor fi
x
for pre-submit matri
x
d
o
cs
commit
|
commitdiff
|
tree
2018-04-19
Szilárd Páll
M
o
ve the P
M
E GPU clearing to the end
o
f the s
t
e
p
commit
|
commitdiff
|
tree
2018-04-16
Szil
á
rd Páll
Ad
d
post-su
b
mit test with hwloc of
f
commit
|
commitdiff
|
tree
2018-04-13
Szil
á
rd
Páll
U
s
e trivalue option
f
or GMX_HWLOC
commit
|
commitdiff
|
tree
2018-04-05
Szilárd Páll
Refac
t
or c
j
preload in the nonbond
e
d Ope
n
CL k
e
rnels
commit
|
commitdiff
|
tree
2018-03-29
Szilárd Páll
Tweak/enable ic
c
18 post-
s
u
bmi
t
tests
commit
|
commitdiff
|
tree
2018-03-29
Szilárd
P
áll
Sw
i
t
c
h CUDA 9
.
0/gcc
5 test to CU
D
A 9
.
1/gcc 6
commit
|
commitdiff
|
tree
2018-03-13
Szilárd P
á
ll
Require Ope
n
CL 1
.
2
commit
|
commitdiff
|
tree
2018-03-13
Szil
á
r
d
Páll
F
i
x c
l
a
ng 6
.
0 with CUD
A
9
.
0
commit
|
commitdiff
|
tree
2018-03-12
Szilárd Páll
A
v
oid icc-spe
c
ific -march=core-avx2 flag
with gcc/cla
n
g
commit
|
commitdiff
|
tree
2018-03-06
Szi
l
árd Pá
l
l
Ext
e
nd "Finding out how to run
mdrun
b
etter" section
commit
|
commitdiff
|
tree
2018-03-05
Szilárd Páll
A
d
d
t
o
t
he contributor section
commit
|
commitdiff
|
tree
2018-02-21
Szilárd Páll
Swit
c
h pre-submit CUDA 8
.
0
tes
t
to 9
.
0
commit
|
commitdiff
|
tree
2018-02-20
Szilárd Páll
Avoid a
b
orting
mdru
n
when GPU sanit
y
c
h
eck detec
t
s
.
.
.
commit
|
commitdiff
|
tree
2018-02-14
Szilá
r
d
P
áll
Remove barriers preventi
n
g
texture reference races
commit
|
commitdiff
|
tree
2018-02-12
Szilárd P
á
ll
Remove single/
m
ulti compila
t
ion unit switching logic
commit
|
commitdiff
|
tree
2018-02-12
Szilárd Páll
Remo
v
e t
e
xtu
r
e refer
e
nce suppor
t
in the CUDA
commit
|
commitdiff
|
tree
2018-01-12
S
z
ilá
r
d P
á
ll
C
all GPU
p
r
o
f
iler reset on separat
e
PM
E
rank
s
commit
|
commitdiff
|
tree
2018-01-10
Szilárd Páll
Us
e
r
g
ui
d
e up
d
ates
to GPU sect
i
on
commit
|
commitdiff
|
tree
2018-01-10
Szilárd P
á
ll
Rel
e
ase notes tweaks
commit
|
commitdiff
|
tree
2018-01-10
Szilárd Páll
Install
guide updates
commit
|
commitdiff
|
tree
2018-01-10
Szilárd
P
áll
Environment
v
ar
i
abl
e
docs m
a
i
ntenance
commit
|
commitdiff
|
tree
2017-12-10
Szilárd Páll
Disab
l
e default-on
N
V
ML support
in
C
Make
commit
|
commitdiff
|
tree
2017-12-06
Szilár
d
P
á
ll
Implemen
t
alt
e
rnating GPU wait
commit
|
commitdiff
|
tree
2017-11-28
Szilárd
P
á
ll
Separate
l
o
cal GPU N
B
wait fro
m
emulati
o
n launch
commit
|
commitdiff
|
tree
2017-11-28
Szilárd Páll
Refactor
GPU rolling prune lau
n
ch
commit
|
commitdiff
|
tree
2017-11-27
Szi
l
árd Páll
Time FFT/gather in
mixed mo
d
e
commit
|
commitdiff
|
tree
2017-11-24
Szilá
r
d
Pál
l
Add G
P
U sharing post-
s
ubmit
c
onf
i
g
commit
|
commitdiff
|
tree
2017-11-23
Szilárd
P
á
l
l
Mov
e
GPU FFT/gather launch after
G
PU
nonbondeds
commit
|
commitdiff
|
tree
2017-11-07
S
z
ilár
d
Pál
l
Use -mavx2 -
m
fma in
s
te
a
d of
-march with AVX2
commit
|
commitdiff
|
tree
2017-11-07
Szilárd Pá
l
l
Merge common nbnxn CUDA/OpenCL G
P
U w
a
it
c
o
d
e
-
paths
commit
|
commitdiff
|
tree
2017-11-07
Szilárd Páll
Add wallcycle ti
m
e
r f
o
r
the PM
E
GP
U
F
reduction
commit
|
commitdiff
|
tree
2017-11-07
Sz
i
lárd
P
áll
Split off nbnxn GPU timing
a
nd s
t
agin
g
reduction
commit
|
commitdiff
|
tree
2017-11-07
Szilárd Páll
Ded
u
plicate CUDA a
n
d
OpenCL timer struct
commit
|
commitdiff
|
tree
2017-10-31
Szilárd Páll
Fix
n
s
tlist increase w
a
rning print
commit
|
commitdiff
|
tree
2017-10-31
Szilár
d
Páll
C
h
e
ck C
U
DA avai
l
abl
e
/compiled
c
ode compa
t
ib
i
lity
commit
|
commitdiff
|
tree
2017-10-31
Szilárd Páll
Fix ns
t
list
i
ncrease warning pr
i
nt
commit
|
commitdiff
|
tree
2017-10-26
Szilárd Páll
Reorga
n
i
ze PME GPU l
a
u
n
ch
commit
|
commitdiff
|
tree
2017-10-23
S
zilárd Páll
Eliminate some
O
C
L/
C
UDA code code duplic
a
t
ion
commit
|
commitdiff
|
tree
2017-10-19
Szilá
r
d Páll
Dis
a
ble
O
penMP with clang 3
.
4
p
ost-s
u
bmit
c
onfig
commit
|
commitdiff
|
tree
2017-10-19
S
z
i
lárd Pál
l
Remov
e
unised OpenCL debugging helpers
commit
|
commitdiff
|
tree
2017-10-12
Szil
á
r
d
P
áll
R
e
m
o
v
e
the size_t f
r
om the PME gather CU
D
A
k
enels
commit
|
commitdiff
|
tree
2017-10-05
S
zilárd Páll
R
efac
t
or sca
l
ed box handling
for P
M
E/Ewald
commit
|
commitdiff
|
tree
2017-10-05
Szilá
r
d Páll
F
ix
p
air list array assertion
commit
|
commitdiff
|
tree
2017-10-05
Szilárd Páll
Avo
i
d -Wmissing
-
pro
t
o
t
ypes warni
n
gs in clang CU
D
A
b
u
il
d
s
commit
|
commitdiff
|
tree
2017-10-03
Szi
l
árd Pá
l
l
M
o
ve
Ew
a
ld
s
plitting-rela
t
ed code t
o
ewald-uti
l
s
commit
|
commitdiff
|
tree
2017-10-03
Szilárd Pál
l
Enable com
p
iling CUDA
dev
i
ce code with
cla
n
g
commit
|
commitdiff
|
tree
2017-09-28
Szilárd Pá
l
l
Correct misplaced
CUDA timing event r
e
cord
commit
|
commitdiff
|
tree
2017-09-26
Szilárd
P
áll
Rename GPU launch/wai
t
cyc
l
e counters
commit
|
commitdiff
|
tree
2017-09-18
Szil
á
rd Páll
M
ino
r
r
e
f
a
ctoring
of CUDA non-
b
onded
k
ernels
commit
|
commitdiff
|
tree
2017-09-14
S
z
i
l
á
rd P
á
ll
CUDA 9/Volta sup
p
ort for the pr
u
ning kerne
l
commit
|
commitdiff
|
tree
2017-09-12
S
zilárd Páll
Mer
g
e
b
ran
c
h 'release-20
1
6'
commit
|
commitdiff
|
tree
2017-09-11
Szilá
r
d
Páll
NVIDIA Volta performan
c
e t
w
eaks
commit
|
commitdiff
|
tree
2017-08-29
Sz
i
lárd
P
áll
Fix
typo
a
nd tweak env var docs
commit
|
commitdiff
|
tree
2017-08-29
Szilárd Pál
l
Avoid div
i
sion by zero is prun
i
ng part calculation
commit
|
commitdiff
|
tree
2017-08-21
Szi
l
árd Páll
A
d
d OpenC
L
pruning kerne
l
s and lau
n
ch/timing logic
commit
|
commitdiff
|
tree
2017-08-18
Szilárd Páll
Im
p
rove aw
k
w
ard hand
l
ing
o
f
G
M
X_CUDA_TARGET*
help
commit
|
commitdiff
|
tree
2017-08-18
Szil
á
rd Páll
Add CUDA
p
runi
n
g
k
ernels a
n
d laun
c
h/t
i
min
g
logic
commit
|
commitdiff
|
tree
2017-07-27
Szil
á
rd Páll
Inform users abo
u
t the end
o
f run DLB state
commit
|
commitdiff
|
tree
2017-06-26
Szilárd Páll
Add
A
RM_NE
O
N
_
ASIMD
p
o
s
t
-
subm
i
t test
commit
|
commitdiff
|
tree
2017-06-21
Szilárd Páll
Re-enable lost DD warning + minor code modernizati
o
n
commit
|
commitdiff
|
tree
2017-06-20
S
zilárd Páll
Re-
e
n
a
ble acci
d
enta
l
ly lost DD
w
arning
commit
|
commitdiff
|
tree
2017-06-20
Szilá
r
d
P
áll
R
e
factoring
+
clarification
o
f
D
LB
s
t
ate hand
l
i
n
g
commit
|
commitdiff
|
tree
2017-06-15
Szilárd
Pá
l
l
A
l
lo
w
dis
a
bling the explicit
u
se o
f
CUDA t
e
xtures
commit
|
commitdiff
|
tree
2017-06-07
S
zilá
r
d
Páll
S
uppress
s
m_
2
x deprecation
warning with CU
D
A 8
.
0
commit
|
commitdiff
|
tree
2017-06-05
Szil
á
rd Páll
Add
C
UDA 8
.
0 + SIMD pre
-
submit test
commit
|
commitdiff
|
tree
2017-06-02
Szilár
d
Pá
l
l
Add ARM_NE
O
N post-submit
t
est
commit
|
commitdiff
|
tree
2017-05-29
Sz
i
lárd Páll
Quot
e
s are cool
,
ty
p
o-free ones
a
re
even "co
o
l
er"
commit
|
commitdiff
|
tree
2017-05-23
Szil
á
r
d Páll
A
dd basi
c
doxy
g
en for the Ver
l
et nonbonded
m
odule
commit
|
commitdiff
|
tree
2017-03-29
S
z
il
á
rd Páll
Refactor CUDA kernel use of tables
commit
|
commitdiff
|
tree
2017-03-29
S
z
ilárd Páll
A
dd CUDA util function for
co
n
stant loads
commit
|
commitdiff
|
tree
2017-03-25
Szilár
d
P
á
ll
Conditional tweak in th
e
nonbonded GPU kernels
commit
|
commitdiff
|
tree
2017-03-17
Szilá
r
d
P
á
l
l
All
o
w bypassing OpenCL device c
o
mpatibility check
commit
|
commitdiff
|
tree
2017-03-16
Szilárd Pál
l
P
r
int cod
e
of unkn
o
wn O
p
enCL error
commit
|
commitdiff
|
tree
2017-03-09
Szilá
r
d
Páll
Fix
mdrun ha
n
ging upon
e
xit with sep PME ranks
commit
|
commitdiff
|
tree
2017-01-24
S
zilá
r
d Pál
l
Remove unused argument in G
P
U kernels
commit
|
commitdiff
|
tree
2016-12-09
Szilárd
Páll
T
u
rn off
hwl
o
c
s
upp
o
rt when
s
t
ati
c
lib
f
ound
commit
|
commitdiff
|
tree
2016-11-17
Szilárd Pá
l
l
C
orrect ker
n
el la
u
nch bounds for CUDA sm_60
commit
|
commitdiff
|
tree
2016-11-01
Szilárd
Páll
Mer
g
e "Merge b
r
anch release-2
0
16"
commit
|
commitdiff
|
tree
2016-10-28
Szilárd
Páll
GPU-related
addition
s
to the install/user
g
uide
commit
|
commitdiff
|
tree
2016-10-27
Szilárd Páll
Make -cl-fast-relaxed-math default
commit
|
commitdiff
|
tree
2016-10-26
Szilá
r
d
Pá
l
l
Add
GMX_DIS
A
B
LE_GPU_TIM
I
NG env var
commit
|
commitdiff
|
tree
2016-10-09
Szi
l
árd Pá
l
l
C
o
r
rect kernel launch bounds for CUDA sm_6
0
commit
|
commitdiff
|
tree
2016-08-27
S
z
ilárd Pá
l
l
Make
A
S
AN/TSAN
/
MSAN
buil
d
types easie
r
to
d
iscover
commit
|
commitdiff
|
tree
2016-07-08
Szilá
r
d
Páll
Add PDF metadata t
o
the m
a
nual
commit
|
commitdiff
|
tree
2016-07-08
Szilár
d
P
á
l
l
User g
u
ide
c
larifications
commit
|
commitdiff
|
tree
2016-07-07
Szi
l
árd Páll
Add user guide
i
nf
o
on CUDA ap
p
l
i
cation clocks
commit
|
commitdiff
|
tree
2016-07-05
Szilár
d
Páll
Docum
e
n
t
GMX
_
GPU_APPLICATION_CLOCKS
commit
|
commitdiff
|
tree
2016-07-04
S
z
i
l
árd Páll
Disable
NVID
I
A JIT ca
c
he with
O
penC
L
commit
|
commitdiff
|
tree
2016-06-14
Szilárd Páll
F
ix CUDA build with
mult
i
ple compi
l
ation units
commit
|
commitdiff
|
tree
2016-06-05
Szilárd Pál
l
Add supp
o
r
t
for CUD
A
CC 6
.
0/6
.
1
commit
|
commitdiff
|
tree
2016-06-02
Szilá
r
d Páll
A
dd env
.
var
.
to ena
b
le OpenC
L
caching
commit
|
commitdiff
|
tree
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