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Fix GMX_BUILD_OWN_FFTW_URL CMake cache entry type
2018-12-17
Sz
i
lárd Pá
l
l
Fi
x
GMX
_
BUILD_OWN_
F
FTW_URL CMake cache e
n
try type
commit
|
commitdiff
|
tree
2018-12-14
S
z
i
l
á
rd Páll
Enable ARMPL in the armc
l
ang build
commit
|
commitdiff
|
tree
2018-12-13
Szilár
d
Pá
l
l
Avoid spurious timing i
n
bon
d
ed G
P
U launch subcounter
commit
|
commitdiff
|
tree
2018-12-13
Szilárd Páll
Docu
m
ent the FP excepti
o
n in cuFF
T
7
.
0
commit
|
commitdiff
|
tree
2018-12-12
Szilárd
P
áll
Improve DLB r
e
po
r
t/note
commit
|
commitdiff
|
tree
2018-12-11
Szilárd Páll
Tweak the bon
d
ed GPU
e
ner
g
y
copy/wait o
p
erations
commit
|
commitdiff
|
tree
2018-12-06
Szilá
r
d P
á
ll
Add Bonded
G
PU
l
aunch
overhea
d
cycle subcounter
commit
|
commitdiff
|
tree
2018-12-06
Szilárd Pá
l
l
Swap the
orde
r
of
G
PU bonded and nonbo
n
ded
launch
commit
|
commitdiff
|
tree
2018-12-06
Szi
l
árd Páll
Fix conditional in nonlocal nbnxn
GPU work skipping
commit
|
commitdiff
|
tree
2018-12-06
Sz
i
l
á
rd
P
áll
Spl
i
t n
b
nxn input copy and kernel launch
commit
|
commitdiff
|
tree
2018-12-05
Szilárd Páll
Correct t
h
read count in th
e
P
M
E GPU reduction
commit
|
commitdiff
|
tree
2018-11-27
Szilárd P
á
l
l
Add
A
R
MPL support to admi
n
scri
p
t
commit
|
commitdiff
|
tree
2018-11-27
Szil
á
rd Páll
Ad
d
tweaks to
s
u
p
port ARMPL for FFTs
commit
|
commitdiff
|
tree
2018-11-07
S
zilárd
Páll
Re-enable
the armc
l
ang post-submit bu
i
ld
commit
|
commitdiff
|
tree
2018-11-07
Szi
l
á
rd Páll
Eliminate macro that
e
xpands t
o
v
aria
b
le in PME GPU
commit
|
commitdiff
|
tree
2018-11-07
Szilárd Páll
Ensu
r
e minimum exec width of the
PME OpenCL
ker
n
els
commit
|
commitdiff
|
tree
2018-10-14
Szilár
d
Páll
F
i
x
more cl
a
ng-6
warnings in CUDA
code
commit
|
commitdiff
|
tree
2018-10-14
Szilárd Pá
l
l
Mode
r
n
ize
O
p
enCL
m
emory
a
l
l
o
c
ation flags
commit
|
commitdiff
|
tree
2018-10-10
S
z
ilárd Páll
Swap custom OpenC
L
memset
k
ernel for clEnqueueFillBuffer
commit
|
commitdiff
|
tree
2018-10-09
Szilárd
P
áll
Update r
e
gressi
o
ntest ref to do
w
nload
commit
|
commitdiff
|
tree
2018-10-08
S
z
i
lárd Páll
Tweak F
i
ndFFT
W
API c
h
ec
k
s
commit
|
commitdiff
|
tree
2018-10-08
S
z
ilárd Páll
Fix
c
lang-
6
warnings
commit
|
commitdiff
|
tree
2018-10-08
Szilárd P
á
ll
Re
p
lace some NULL with nullptr in
C
UD
A
c
o
de
commit
|
commitdiff
|
tree
2018-10-07
S
z
il
á
rd Páll
Use new GPU slav
e
for AMD OpenCL veri
f
y runs
commit
|
commitdiff
|
tree
2018-10-05
Szilárd
P
áll
Up
d
a
te test matrices with
n
ew GPU sp
e
cifiers
commit
|
commitdiff
|
tree
2018-09-29
Szilárd Páll
Fix const
r
a
ints
c
ycle
c
ou
n
tin
g
commit
|
commitdiff
|
tree
2018-09-21
Szilárd
P
á
l
l
Bump test ti
m
eout onl
y
for
O
pe
n
CL in
t
egratio
n
tests
commit
|
commitdiff
|
tree
2018-08-28
Szil
á
rd Pál
l
Qui
e
t
c
mak
e
a
bout clFFT
n
ot
f
oun
d
a
fter fir
s
t run
commit
|
commitdiff
|
tree
2018-08-21
Szilárd Páll
R
e
quest
flus
h
ing
de
n
o
rms t
o
zero in OpenCL
commit
|
commitdiff
|
tree
2018-08-20
Szi
l
árd Páll
Disable s
i
ngle comp
i
lation uni
t
with CUDA 9
.
0
commit
|
commitdiff
|
tree
2018-08-15
Szil
á
rd
Páll
Improve GPU detection sanity check error message
commit
|
commitdiff
|
tree
2018-07-30
Szilárd Páll
Move out
Op
e
nCL device u
t
ils from vectype
o
p
s
commit
|
commitdiff
|
tree
2018-07-30
Szi
l
árd Páll
Improve t
h
e robustness of the nv
c
c
C
Make
chec
k
commit
|
commitdiff
|
tree
2018-07-30
Szilár
d
P
á
ll
Fix
n
v
cc host compiler
check t
r
iggering
commit
|
commitdiff
|
tree
2018-07-29
Szi
l
árd P
á
ll
Corrections to the user g
u
i
d
e mdrun perf section
commit
|
commitdiff
|
tree
2018-06-12
Szilárd Páll
Also issue OMP_
N
UM_THRE
A
DS readin
g
note
to
t
he log
commit
|
commitdiff
|
tree
2018-06-04
Szilár
d
Páll
F
i
x
t
i
m
ing of clFFT ke
r
nel
s
commit
|
commitdiff
|
tree
2018-05-29
Szilárd Páll
Switch to CUDA
9
.
2 +
gcc 7
commit
|
commitdiff
|
tree
2018-04-26
Szilárd Páll
Bu
m
p
r
e
quired
C
UDA
versio
n
to 7
.
0
commit
|
commitdiff
|
tree
2018-04-23
Szilárd Páll
F
i
x
i
c
c warning in post-s
u
bmit
commit
|
commitdiff
|
tree
2018-04-21
S
zilárd P
á
ll
Add
post
-
subm
i
t with AR
M
H
P
C Toolchain
commit
|
commitdiff
|
tree
2018-04-21
Szilárd Pál
l
Tweak PME run
mode checks
commit
|
commitdiff
|
tree
2018-04-20
S
z
i
l
árd Páll
M
inor fix for pre-subm
i
t matrix docs
commit
|
commitdiff
|
tree
2018-04-19
Szi
l
árd Páll
Move
the PME
G
PU clea
r
ing t
o
t
he end o
f
t
h
e step
commit
|
commitdiff
|
tree
2018-04-16
Szilá
r
d P
á
ll
Add post-s
u
bmit tes
t
with hwloc off
commit
|
commitdiff
|
tree
2018-04-13
S
zilárd Páll
Use triva
l
ue option fo
r
GMX
_
HWLO
C
commit
|
commitdiff
|
tree
2018-04-05
Szil
á
rd
P
áll
Refactor cj pr
e
load in the nonb
o
nded OpenCL ker
n
e
ls
commit
|
commitdiff
|
tree
2018-03-29
Sz
i
l
á
rd Pál
l
Tweak/enab
l
e icc 18 post-submit tests
commit
|
commitdiff
|
tree
2018-03-29
Szilá
r
d
P
áll
S
w
itch
CUDA
9
.
0/gcc 5 te
s
t to CUDA 9
.
1/gcc 6
commit
|
commitdiff
|
tree
2018-03-13
Szilárd P
á
ll
Require OpenCL 1
.
2
commit
|
commitdiff
|
tree
2018-03-13
Szilár
d
Páll
Fix clang 6
.
0 with CUDA 9
.
0
commit
|
commitdiff
|
tree
2018-03-12
S
zilárd Páll
Avoid ic
c
-specific -mar
c
h
=
core-av
x
2
f
lag wit
h
gcc/clang
commit
|
commitdiff
|
tree
2018-03-06
Szilárd
P
áll
Ex
t
end "Finding
o
ut how
t
o run mdrun bett
e
r" se
c
tion
commit
|
commitdiff
|
tree
2018-03-05
Szilárd Páll
Add to the c
o
ntributor section
commit
|
commitdiff
|
tree
2018-02-21
Szilárd
P
á
ll
Switch pre-submit
CUDA 8
.
0 test
t
o 9
.
0
commit
|
commitdiff
|
tree
2018-02-20
Szilárd Páll
Avo
i
d ab
o
rting mdrun
w
hen GP
U
sanity chec
k
detec
t
s
.
.
.
commit
|
commitdiff
|
tree
2018-02-14
Szilárd
Páll
Remove barriers p
r
ev
e
nting
te
x
ture referen
c
e
rac
e
s
commit
|
commitdiff
|
tree
2018-02-12
Szilárd
P
áll
R
e
mo
v
e single/multi
compi
l
a
t
ion unit switchin
g
logic
commit
|
commitdiff
|
tree
2018-02-12
Szilárd Páll
Remo
v
e textu
r
e reference support in the CUDA
commit
|
commitdiff
|
tree
2018-01-12
Szilárd P
á
ll
C
all GPU pr
o
filer rese
t
on sepa
r
ate P
M
E ra
n
ks
commit
|
commitdiff
|
tree
2018-01-10
Szilárd Pá
l
l
User guide updates to GPU s
e
cti
o
n
commit
|
commitdiff
|
tree
2018-01-10
S
z
il
á
r
d
Páll
Release n
o
t
e
s
tweaks
commit
|
commitdiff
|
tree
2018-01-10
Szilárd Pá
l
l
Install gu
i
de upd
a
tes
commit
|
commitdiff
|
tree
2018-01-10
Szil
á
rd
Páll
Env
i
ron
m
ent vari
a
ble docs maintenance
commit
|
commitdiff
|
tree
2017-12-10
Szilárd Páll
Disabl
e
de
f
ault-on NVML supp
o
r
t
in CMak
e
commit
|
commitdiff
|
tree
2017-12-06
Szi
l
á
rd Páll
I
m
plement altern
a
ting GPU wait
commit
|
commitdiff
|
tree
2017-11-28
S
z
ilárd Páll
Separate local GPU
N
B wai
t
f
r
om emulation launch
commit
|
commitdiff
|
tree
2017-11-28
Szilárd Páll
Refactor GPU rol
l
ing prune launch
commit
|
commitdiff
|
tree
2017-11-27
Szilárd Pá
l
l
Time FFT
/
gather
i
n mixed mod
e
commit
|
commitdiff
|
tree
2017-11-24
S
z
ilárd Pál
l
Add
GPU sharing pos
t
-submit confi
g
commit
|
commitdiff
|
tree
2017-11-23
S
z
ilárd Páll
Move G
P
U FFT/gat
h
er launch after GPU nonbondeds
commit
|
commitdiff
|
tree
2017-11-07
Szi
l
ár
d
Páll
Use -
m
avx
2
-mfm
a
i
n
stead of -march with AV
X
2
commit
|
commitdiff
|
tree
2017-11-07
Szilárd Páll
Merge com
m
on nbnx
n
C
U
DA/OpenCL
G
PU wai
t
co
d
e-pat
h
s
commit
|
commitdiff
|
tree
2017-11-07
Szilárd Pál
l
Add wallc
y
cle timer
for the PME
GPU
F reduction
commit
|
commitdiff
|
tree
2017-11-07
Szilárd Páll
Split off nbnxn GPU timing
a
n
d s
t
aging reductio
n
commit
|
commitdiff
|
tree
2017-11-07
Szil
á
rd
P
áll
Dedup
l
icate CU
D
A
and OpenC
L
timer struct
commit
|
commitdiff
|
tree
2017-10-31
Szilárd Páll
Fix n
s
tlist increase warnin
g
print
commit
|
commitdiff
|
tree
2017-10-31
Szilárd Pá
l
l
C
h
ec
k
CUDA
a
v
ailable/compi
l
ed c
o
de comp
a
t
i
b
ility
commit
|
commitdiff
|
tree
2017-10-31
Szi
l
árd
Páll
Fi
x
n
stlist inc
r
e
ase warnin
g
pr
i
n
t
commit
|
commitdiff
|
tree
2017-10-26
Szilárd
P
áll
Reo
r
ganize PME GPU laun
c
h
commit
|
commitdiff
|
tree
2017-10-23
Szilárd P
á
ll
El
i
minate some OCL/C
U
DA
c
o
de c
o
de duplicat
i
on
commit
|
commitdiff
|
tree
2017-10-19
Szilárd Páll
Disable OpenMP with clang 3
.
4 post-submit
c
onfig
commit
|
commitdiff
|
tree
2017-10-19
Szilárd Páll
Remo
v
e
u
nised
O
pen
C
L d
e
bugging helper
s
commit
|
commitdiff
|
tree
2017-10-12
Szilárd P
á
ll
Remove the size_t f
r
om the PME gather
C
UDA kenel
s
commit
|
commitdiff
|
tree
2017-10-05
S
z
ilárd Pá
l
l
Refactor scaled b
o
x h
a
ndling f
o
r PME/Ewald
commit
|
commitdiff
|
tree
2017-10-05
Szilárd Páll
F
ix pair
l
ist array as
s
ertion
commit
|
commitdiff
|
tree
2017-10-05
Szilárd Pál
l
Avoid -Wmissing-proto
t
ypes warnings in c
l
ang CU
D
A
bu
i
lds
commit
|
commitdiff
|
tree
2017-10-03
S
zilárd Pá
l
l
M
ove Ewald splitting
-
r
e
lated code to ewald-uti
l
s
commit
|
commitdiff
|
tree
2017-10-03
Sz
i
l
árd Páll
Ena
b
le co
m
piling CU
D
A device code with clang
commit
|
commitdiff
|
tree
2017-09-28
Szilárd
P
áll
Corre
c
t
misplaced CUDA
timing event record
commit
|
commitdiff
|
tree
2017-09-26
Szil
á
rd Páll
Rena
m
e GPU launch
/
wait c
y
c
l
e cou
n
ters
commit
|
commitdiff
|
tree
2017-09-18
Szilárd Pá
l
l
M
i
n
or refact
o
ring of
C
U
DA no
n
-bonded k
e
rnels
commit
|
commitdiff
|
tree
2017-09-14
Szilárd Páll
CUDA
9/Vol
t
a suppor
t
for the pruning kernel
commit
|
commitdiff
|
tree
2017-09-12
Szilárd Páll
Mer
g
e branch 'release-2016'
commit
|
commitdiff
|
tree
2017-09-11
Szilárd Páll
NVIDI
A
V
o
lta
p
erformance tw
e
ak
s
commit
|
commitdiff
|
tree
2017-08-29
Szilárd
Páll
Fix
typo and tweak env
var docs
commit
|
commitdiff
|
tree
2017-08-29
Szilárd Pál
l
Avoid division
b
y
zero is pruning
p
art calc
u
la
t
ion
commit
|
commitdiff
|
tree
2017-08-21
Szil
á
rd Páll
Ad
d
OpenCL
pruning
k
ernels and launch/timing
l
ogic
commit
|
commitdiff
|
tree
2017-08-18
Szilárd Páll
Improve awkward hand
l
ing of GMX_CUDA_TARGET* help
commit
|
commitdiff
|
tree
2017-08-18
Szil
á
rd Páll
Add
C
UDA pru
n
ing ker
n
els and launch/timing
logic
commit
|
commitdiff
|
tree
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