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Change nbnxn grid reallocation
2018-04-26
S
zilá
r
d
P
áll
Bump required CUDA version to 7
.
0
commit
|
commitdiff
|
tree
2018-04-23
Szilárd Páll
Fix ic
c
wa
r
ning i
n
post-su
b
m
it
commit
|
commitdiff
|
tree
2018-04-21
S
z
i
l
árd
Páll
Ad
d
post-sub
m
i
t
wit
h
ARM HP
C
Toolch
a
in
commit
|
commitdiff
|
tree
2018-04-21
Szilárd
P
á
l
l
T
weak PME run
m
ode
ch
e
c
ks
commit
|
commitdiff
|
tree
2018-04-20
Szilárd Páll
Minor fix
fo
r
p
re
-
su
b
mit m
a
trix docs
commit
|
commitdiff
|
tree
2018-04-19
Szilárd
P
á
l
l
Move th
e
P
M
E GPU
c
learing to the end
of the step
commit
|
commitdiff
|
tree
2018-04-16
Szilárd Páll
Add post-submit tes
t
with hwl
o
c off
commit
|
commitdiff
|
tree
2018-04-13
Szilárd Páll
U
s
e trival
u
e option
fo
r
GMX_HWLOC
commit
|
commitdiff
|
tree
2018-04-05
Szi
l
árd Páll
Refactor cj pre
l
oad in the nonbonded OpenCL
kernel
s
commit
|
commitdiff
|
tree
2018-03-29
Szilárd Páll
Tw
e
ak/enable
i
cc
1
8 post-submit tests
commit
|
commitdiff
|
tree
2018-03-29
Szilárd Pá
l
l
Sw
i
tch C
U
DA 9
.
0/
g
c
c
5
test to CU
D
A 9
.
1/g
c
c 6
commit
|
commitdiff
|
tree
2018-03-13
S
z
ilárd
Páll
Require OpenCL 1
.
2
commit
|
commitdiff
|
tree
2018-03-13
S
zilár
d
Páll
Fix
c
l
ang 6
.
0 w
i
th CUDA 9
.
0
commit
|
commitdiff
|
tree
2018-03-12
Szilár
d
Páll
Avoid icc-s
p
ecific -march=
c
ore-avx2 flag
w
ith gcc/clang
commit
|
commitdiff
|
tree
2018-03-06
S
zilár
d
Páll
Extend "Finding o
u
t how
t
o run mdrun b
e
tter" sec
t
ion
commit
|
commitdiff
|
tree
2018-03-05
Szilárd Páll
Add to the contributor se
c
tion
commit
|
commitdiff
|
tree
2018-02-21
Szilárd
P
áll
Switch pre-s
u
b
m
i
t CU
D
A
8
.
0
t
est
to 9
.
0
commit
|
commitdiff
|
tree
2018-02-20
S
z
ilárd P
á
l
l
A
void aborting mdrun when GPU sanity check detects
.
.
.
commit
|
commitdiff
|
tree
2018-02-14
S
z
ilárd Páll
Remov
e
barriers
p
reventing texture
r
e
ference races
commit
|
commitdiff
|
tree
2018-02-12
Szilárd Páll
Rem
o
ve
s
i
n
gle/
m
ulti compilatio
n
unit
s
w
i
t
chin
g
log
i
c
commit
|
commitdiff
|
tree
2018-02-12
S
zilárd Páll
Remove
t
exture reference
s
u
p
p
ort in the CUDA
commit
|
commitdiff
|
tree
2018-01-12
Szilár
d
P
á
ll
C
all GPU
p
r
ofiler res
e
t on separate PME ranks
commit
|
commitdiff
|
tree
2018-01-10
Szilárd Pá
l
l
User
guide up
d
ates to GPU sect
i
on
commit
|
commitdiff
|
tree
2018-01-10
Szilá
r
d Páll
Release notes tweaks
commit
|
commitdiff
|
tree
2018-01-10
Szilárd Pál
l
Install guide updates
commit
|
commitdiff
|
tree
2018-01-10
Szilárd Páll
Enviro
n
men
t
v
a
ri
a
ble
d
o
c
s maint
e
nan
c
e
commit
|
commitdiff
|
tree
2017-12-10
Szilárd Páll
Dis
a
ble def
a
u
l
t-on NVML support in CMak
e
commit
|
commitdiff
|
tree
2017-12-06
S
zilárd
P
áll
Implem
e
nt
alternating GPU wa
i
t
commit
|
commitdiff
|
tree
2017-11-28
Szilárd Páll
S
e
pa
r
ate local G
P
U NB wai
t
fro
m
emulation launch
commit
|
commitdiff
|
tree
2017-11-28
S
z
ilárd
P
ál
l
Ref
a
ct
o
r GPU ro
l
lin
g
prune launch
commit
|
commitdiff
|
tree
2017-11-27
Szilá
r
d
P
á
l
l
Time FFT/
g
at
h
er in mixed mode
commit
|
commitdiff
|
tree
2017-11-24
Sz
i
lárd
Páll
Ad
d
G
P
U sharing
p
ost-
s
ubmit config
commit
|
commitdiff
|
tree
2017-11-23
Szilárd Pá
l
l
Move GPU FFT/ga
t
her
l
a
unch af
t
e
r GPU n
o
nbondeds
commit
|
commitdiff
|
tree
2017-11-07
Szilárd Páll
Us
e
-
m
avx2 -
m
fm
a
instead o
f
-march
w
ith
A
VX2
commit
|
commitdiff
|
tree
2017-11-07
Szilárd Páll
Merg
e
com
m
on nbnxn
C
UDA/O
p
enCL G
P
U wai
t
code-paths
commit
|
commitdiff
|
tree
2017-11-07
Szilárd P
á
ll
A
d
d
w
allcy
c
l
e
timer for the PME GPU
F redu
c
tion
commit
|
commitdiff
|
tree
2017-11-07
S
zilá
r
d
P
á
ll
Split off nbnxn GPU timing a
n
d
staging reduction
commit
|
commitdiff
|
tree
2017-11-07
Szilár
d
Páll
De
d
upl
i
cate CUDA and O
p
enCL timer
struct
commit
|
commitdiff
|
tree
2017-10-31
Szilár
d
Páll
F
i
x
n
stlist increa
s
e warni
n
g
print
commit
|
commitdiff
|
tree
2017-10-31
Szilárd Páll
Check CUDA avail
a
b
le/compiled code comp
a
tibility
commit
|
commitdiff
|
tree
2017-10-31
Szilárd Páll
Fix nstlist increase w
a
rning print
commit
|
commitdiff
|
tree
2017-10-26
Szilárd Páll
R
e
orga
n
iz
e
PM
E
GPU la
u
nch
commit
|
commitdiff
|
tree
2017-10-23
Szilárd P
á
ll
E
liminate s
o
me O
C
L/
C
UD
A
code
code
duplication
commit
|
commitdiff
|
tree
2017-10-19
Sz
i
lá
r
d Páll
D
i
s
able
OpenMP with cla
n
g
3
.
4 p
o
s
t-submit config
commit
|
commitdiff
|
tree
2017-10-19
S
zilárd
Páll
Remove unised OpenCL debugg
i
ng he
l
p
e
r
s
commit
|
commitdiff
|
tree
2017-10-12
Szilárd Páll
Remove
the
s
ize
_
t from the PME gather CUDA kenels
commit
|
commitdiff
|
tree
2017-10-05
Szilárd Páll
Refactor scal
e
d box handling fo
r
PME/Ewald
commit
|
commitdiff
|
tree
2017-10-05
Szilárd Pá
l
l
F
i
x pair list array ass
e
rtion
commit
|
commitdiff
|
tree
2017-10-05
Szilárd P
á
ll
Avoid
-Wmissing-prototy
p
es
w
a
rnings in clang CUDA builds
commit
|
commitdiff
|
tree
2017-10-03
Szilárd Páll
Mov
e
Ewa
l
d
sp
l
i
t
t
ing-related code to e
w
ald
-
u
tils
commit
|
commitdiff
|
tree
2017-10-03
Sz
i
lárd Pál
l
Enable compiling C
U
DA
device code
w
ith clang
commit
|
commitdiff
|
tree
2017-09-28
Szilárd Páll
Cor
r
ect mispla
c
e
d
C
U
DA timing event reco
r
d
commit
|
commitdiff
|
tree
2017-09-26
Szilá
r
d Páll
Re
n
ame GPU launch/wait
c
ycle
c
o
unters
commit
|
commitdiff
|
tree
2017-09-18
Szi
l
ár
d
Páll
Minor refactori
n
g
of
C
U
DA non-bonded kernel
s
commit
|
commitdiff
|
tree
2017-09-14
Szilárd P
á
ll
CU
D
A 9/Volta support for the pruning kernel
commit
|
commitdiff
|
tree
2017-09-12
Szilárd Páll
Merge branch 'rel
e
ase-2016'
commit
|
commitdiff
|
tree
2017-09-11
Szilárd Pál
l
NVIDIA
V
ol
t
a
performanc
e
tweaks
commit
|
commitdiff
|
tree
2017-08-29
S
zil
á
rd Páll
Fix typ
o
and
tweak e
n
v
var docs
commit
|
commitdiff
|
tree
2017-08-29
S
zilárd Páll
Avoid
d
ivision by zero i
s
pruning part cal
c
ul
a
tion
commit
|
commitdiff
|
tree
2017-08-21
Szilárd Páll
Add Ope
n
CL p
r
uning kernel
s
and launch/timing logic
commit
|
commitdiff
|
tree
2017-08-18
Szilárd Páll
I
m
prove awkward handling of GMX_CUDA_TAR
G
ET* help
commit
|
commitdiff
|
tree
2017-08-18
Szil
á
r
d Páll
Add CUDA prun
i
n
g
kernels an
d
la
u
nch/timing
l
ogic
commit
|
commitdiff
|
tree
2017-07-27
Szilárd Páll
Inform users about the e
n
d of run D
L
B state
commit
|
commitdiff
|
tree
2017-06-26
Szilár
d
Pál
l
Add
A
RM_NEON_ASIMD post-submit t
e
st
commit
|
commitdiff
|
tree
2017-06-21
Szilá
r
d P
á
l
l
Re-enable lost DD warni
n
g + minor
c
ode
modernization
commit
|
commitdiff
|
tree
2017-06-20
Szilár
d
Páll
R
e
-enable accidentally l
o
s
t
D
D
warning
commit
|
commitdiff
|
tree
2017-06-20
Szilárd Páll
Refactoring + cla
r
ification of DLB
state handling
commit
|
commitdiff
|
tree
2017-06-15
Szilárd Páll
Allo
w
d
isab
l
ing the expli
c
it use of
CUDA textures
commit
|
commitdiff
|
tree
2017-06-07
Szilárd
P
ál
l
S
uppress
s
m_2x deprecation warning with CUDA 8
.
0
commit
|
commitdiff
|
tree
2017-06-05
S
z
i
l
árd Páll
Ad
d
CU
D
A 8
.
0 +
S
IM
D
pr
e
-
submit test
commit
|
commitdiff
|
tree
2017-06-02
S
z
i
l
árd Páll
Add ARM_N
E
ON post-subm
i
t te
s
t
commit
|
commitdiff
|
tree
2017-05-29
Szilárd Páll
Quotes are
cool, typo
-
free
o
nes are
even "cool
e
r"
commit
|
commitdiff
|
tree
2017-05-23
S
zilárd P
á
ll
Add basi
c
doxy
g
en
f
or the Verl
e
t non
b
on
d
e
d
mo
d
ule
commit
|
commitdiff
|
tree
2017-03-29
S
z
i
l
árd Páll
Re
f
actor CUDA
ker
n
el use of tables
commit
|
commitdiff
|
tree
2017-03-29
Szilárd
Pá
l
l
Ad
d
CUDA u
t
il
f
unction for
constant
l
o
a
ds
commit
|
commitdiff
|
tree
2017-03-25
S
z
ilá
r
d Páll
Conditional tweak in
the non
b
o
nded GPU kernels
commit
|
commitdiff
|
tree
2017-03-17
Szilárd Pá
l
l
A
l
l
ow byp
a
ssing OpenCL devi
c
e
c
ompatibility chec
k
commit
|
commitdiff
|
tree
2017-03-16
S
z
ilárd Páll
P
rint code o
f
u
n
k
nown OpenCL error
commit
|
commitdiff
|
tree
2017-03-09
Sz
i
lárd Páll
Fix md
r
un hanging upon
e
xit wi
t
h sep PME ran
k
s
commit
|
commitdiff
|
tree
2017-01-24
Szi
l
árd Páll
R
e
m
o
ve unused
a
rgument
in G
P
U kernels
commit
|
commitdiff
|
tree
2016-12-09
Sz
i
lárd
P
áll
Turn off hwloc support when static lib fo
u
n
d
commit
|
commitdiff
|
tree
2016-11-17
S
zilárd Páll
Correc
t
ke
r
nel launch bounds for
C
UDA sm_60
commit
|
commitdiff
|
tree
2016-11-01
S
z
ilárd Páll
Merge
"Merge branch release-2016"
commit
|
commitdiff
|
tree
2016-10-28
Szilár
d
Páll
GPU-relat
e
d ad
d
itions
to th
e
install/user guide
commit
|
commitdiff
|
tree
2016-10-27
Szilárd
Páll
Ma
k
e -cl-fast-relaxed-mat
h
default
commit
|
commitdiff
|
tree
2016-10-26
Sz
i
lárd P
á
ll
Add GMX_DIS
A
BLE_G
P
U
_TIMING env
var
commit
|
commitdiff
|
tree
2016-10-09
Szilárd P
á
l
l
Corre
c
t
kernel lau
n
c
h
bounds for CUDA sm_
6
0
commit
|
commitdiff
|
tree
2016-08-27
Szilá
r
d
P
áll
Make A
S
AN/TS
A
N/MSAN build typ
e
s easier to
d
i
s
c
o
v
er
commit
|
commitdiff
|
tree
2016-07-08
Szilárd P
á
ll
Add PD
F
m
e
tadat
a
to
the manu
a
l
commit
|
commitdiff
|
tree
2016-07-08
Szilárd Páll
User
g
uide clarifications
commit
|
commitdiff
|
tree
2016-07-07
Szilárd P
á
ll
Add use
r
gu
i
de info on CUDA applica
t
ion clocks
commit
|
commitdiff
|
tree
2016-07-05
Szilá
r
d Páll
Docum
e
nt GMX_GPU
_
APPLICATION_CLOCKS
commit
|
commitdiff
|
tree
2016-07-04
S
zilárd Páll
Disable NVIDIA JIT ca
c
he with OpenCL
commit
|
commitdiff
|
tree
2016-06-14
Szi
l
árd
Pál
l
Fi
x
CUDA build w
i
th mult
i
ple compil
a
tion units
commit
|
commitdiff
|
tree
2016-06-05
Szilá
r
d Páll
A
dd
support for C
U
DA CC 6
.
0
/
6
.
1
commit
|
commitdiff
|
tree
2016-06-02
S
zilárd Páll
Add env
.
var
.
to enable OpenCL ca
c
h
i
ng
commit
|
commitdiff
|
tree
2016-06-02
Szilárd Páll
Fix O
p
enCL bin
a
ry cache file name generatio
n
commit
|
commitdiff
|
tree
2016-05-05
Szilárd Páll
Re
m
ove CU
D
A host comp
i
l
er
c
onsistency
c
hecks
commit
|
commitdiff
|
tree
2016-04-28
Szilárd Páll
W
orka
r
ound for
gcc fa
l
se posi
t
i
ve warning
commit
|
commitdiff
|
tree
2016-04-27
Szi
l
árd
P
áll
Fix multiple MPI ranks
per node with OpenCL
commit
|
commitdiff
|
tree
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