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Partial conversion of gmx_domdec_t to C++
2018-06-04
Szilárd Páll
Fix timing of
cl
F
F
T kernels
commit
|
commitdiff
|
tree
2018-05-29
Szilárd Páll
Sw
i
tc
h
to
CUDA 9
.
2 + gcc 7
commit
|
commitdiff
|
tree
2018-04-26
Szil
á
rd P
á
ll
Bump
r
e
qui
r
ed CUDA version to 7
.
0
commit
|
commitdiff
|
tree
2018-04-23
Szilárd Páll
Fix icc warning in
post
-
submit
commit
|
commitdiff
|
tree
2018-04-21
Szi
l
árd P
á
ll
Add post-submit wit
h
ARM HPC Toolchain
commit
|
commitdiff
|
tree
2018-04-21
Szilárd Páll
Tweak
PME
run mode checks
commit
|
commitdiff
|
tree
2018-04-20
Szilárd Páll
Minor f
i
x f
o
r pre-submit matrix
doc
s
commit
|
commitdiff
|
tree
2018-04-19
Szilá
r
d P
á
ll
Move
th
e
PME GPU c
l
earing
t
o
the en
d
of t
h
e step
commit
|
commitdiff
|
tree
2018-04-16
Szilárd
P
á
ll
Add po
s
t-
s
ub
m
i
t
te
s
t w
i
th hwloc of
f
commit
|
commitdiff
|
tree
2018-04-13
S
z
i
lárd Pá
l
l
Us
e
triva
l
ue opti
o
n for GMX_H
W
LOC
commit
|
commitdiff
|
tree
2018-04-05
Szilárd
P
áll
Refactor cj pr
e
load in the
nonbonded OpenCL k
e
rnel
s
commit
|
commitdiff
|
tree
2018-03-29
Szilá
r
d Páll
Twea
k
/enable icc
1
8 post-submit tests
commit
|
commitdiff
|
tree
2018-03-29
Szilárd Pá
l
l
Switch CUDA 9
.
0/gc
c
5 te
s
t to CUDA
9
.
1
/
gcc 6
commit
|
commitdiff
|
tree
2018-03-13
Szilárd Páll
Require O
p
enC
L
1
.
2
commit
|
commitdiff
|
tree
2018-03-13
Szilárd Páll
Fi
x
clang 6
.
0
w
i
th CUDA 9
.
0
commit
|
commitdiff
|
tree
2018-03-12
Szilárd Páll
Avoid icc-
s
pec
i
fic -ma
r
ch=core-a
v
x2 flag wi
t
h gcc/clang
commit
|
commitdiff
|
tree
2018-03-06
Szil
á
rd Páll
Extend "Finding o
u
t
h
ow to run mdrun be
t
ter" se
c
t
i
on
commit
|
commitdiff
|
tree
2018-03-05
Szilárd
P
á
ll
Add
t
o t
h
e
c
ontributor
s
e
c
tion
commit
|
commitdiff
|
tree
2018-02-21
Szilárd
Páll
Switch pre-submit CUDA 8
.
0 test
to 9
.
0
commit
|
commitdiff
|
tree
2018-02-20
Szil
á
rd Páll
Avoid aborting
mdrun
w
hen GPU sanity c
h
eck det
e
cts
.
.
.
commit
|
commitdiff
|
tree
2018-02-14
Szilárd
Páll
Remove b
a
rriers preventing text
u
r
e
r
e
f
e
r
ence races
commit
|
commitdiff
|
tree
2018-02-12
S
zilárd Páll
Remove
single/multi compilation unit
switching logic
commit
|
commitdiff
|
tree
2018-02-12
S
z
ilárd Pá
l
l
R
e
m
o
ve t
e
xture referen
c
e su
p
po
r
t in
t
he CUDA
commit
|
commitdiff
|
tree
2018-01-12
Szilárd Páll
Call GPU profiler reset
o
n s
e
para
t
e PME ranks
commit
|
commitdiff
|
tree
2018-01-10
S
zilá
r
d
P
áll
User
gu
i
d
e
updates to GPU
s
ection
commit
|
commitdiff
|
tree
2018-01-10
Szilárd Páll
R
elease
n
ot
e
s
t
weaks
commit
|
commitdiff
|
tree
2018-01-10
Szilárd Páll
I
n
stall guide upd
a
tes
commit
|
commitdiff
|
tree
2018-01-10
Szilárd Pá
l
l
Enviro
n
ment v
a
riab
l
e docs maintenance
commit
|
commitdiff
|
tree
2017-12-10
Szilárd Páll
D
isable default-on NVML
support in CMake
commit
|
commitdiff
|
tree
2017-12-06
Szilárd Páll
Imple
m
ent alter
n
a
ting GPU w
a
it
commit
|
commitdiff
|
tree
2017-11-28
Szilárd Páll
Separate
l
ocal GPU NB
wait from emu
l
atio
n
launch
commit
|
commitdiff
|
tree
2017-11-28
Sz
i
lárd Páll
Refactor GPU rolling pr
u
ne launch
commit
|
commitdiff
|
tree
2017-11-27
Szil
á
rd Páll
Time FFT/gath
e
r
i
n mi
x
ed mode
commit
|
commitdiff
|
tree
2017-11-24
S
z
ilárd
Páll
A
d
d GPU s
h
aring post-submit con
f
i
g
commit
|
commitdiff
|
tree
2017-11-23
Szilárd
P
áll
Move GPU FFT
/
gat
h
er
launch
a
fter GPU nonbondeds
commit
|
commitdiff
|
tree
2017-11-07
Szilárd Páll
Use -mavx2
-
mfma ins
t
e
ad of -mar
c
h wi
t
h
AVX2
commit
|
commitdiff
|
tree
2017-11-07
Szi
l
árd
P
áll
M
e
rge
common nbnxn C
U
DA/OpenC
L
GPU
wait code-paths
commit
|
commitdiff
|
tree
2017-11-07
Szilárd
Pál
l
A
d
d wall
c
ycle
t
i
m
e
r for the PME
GPU F red
u
ct
i
on
commit
|
commitdiff
|
tree
2017-11-07
Szilárd
P
á
l
l
Split off nbnxn
GPU timing a
n
d sta
g
i
ng
r
eduction
commit
|
commitdiff
|
tree
2017-11-07
Szi
l
árd Páll
Dedu
p
l
icat
e
C
UDA a
n
d OpenCL time
r
struct
commit
|
commitdiff
|
tree
2017-10-31
S
z
ilárd Páll
Fix
nstlist increase war
n
i
n
g print
commit
|
commitdiff
|
tree
2017-10-31
Szi
l
ár
d
Páll
Chec
k
C
U
DA available/compiled code compat
i
bility
commit
|
commitdiff
|
tree
2017-10-31
Szilárd
P
á
l
l
Fix nstl
i
st inc
r
ease warning
prin
t
commit
|
commitdiff
|
tree
2017-10-26
Sz
i
lárd
Páll
Reorganize PME GPU la
u
nch
commit
|
commitdiff
|
tree
2017-10-23
Sz
i
lárd Páll
Eliminate som
e
OCL/CUDA
code code du
p
lication
commit
|
commitdiff
|
tree
2017-10-19
Szilárd Páll
Disable Ope
n
M
P
with cl
a
n
g
3
.
4
post-submit c
o
nfig
commit
|
commitdiff
|
tree
2017-10-19
Sz
i
lárd Páll
Remove unise
d
OpenCL debuggin
g
h
elpers
commit
|
commitdiff
|
tree
2017-10-12
Szil
á
rd Páll
Remove the size_t from the
P
M
E
gather
CUDA ken
e
ls
commit
|
commitdiff
|
tree
2017-10-05
Szi
l
árd Páll
R
efac
t
or scal
e
d bo
x
handling f
o
r
PME
/
E
wald
commit
|
commitdiff
|
tree
2017-10-05
Szilárd Pál
l
Fix pa
i
r
l
i
st array ass
e
rtion
commit
|
commitdiff
|
tree
2017-10-05
Sz
i
lá
r
d Páll
Avoid -Wmissing-proto
t
y
p
es warnings in c
l
ang C
U
DA builds
commit
|
commitdiff
|
tree
2017-10-03
S
zilárd Páll
Move Ewald s
p
litting-related c
o
de t
o
ewal
d
-utils
commit
|
commitdiff
|
tree
2017-10-03
Szilárd Pá
l
l
Enable compiling CUDA device co
d
e with clang
commit
|
commitdiff
|
tree
2017-09-28
Szilárd Páll
Correct
misplaced CUDA timing ev
e
nt rec
o
r
d
commit
|
commitdiff
|
tree
2017-09-26
Szi
l
árd Páll
Rename GPU launch
/
wait cycle coun
t
ers
commit
|
commitdiff
|
tree
2017-09-18
S
z
ilárd Páll
M
i
nor refa
c
toring of CUDA
n
o
n-b
o
nded kernels
commit
|
commitdiff
|
tree
2017-09-14
Szi
l
árd Páll
CUDA 9/Volta sup
p
ort for t
h
e pruning kernel
commit
|
commitdiff
|
tree
2017-09-12
S
z
i
lárd
P
áll
Merge branch '
r
elease-2
0
16'
commit
|
commitdiff
|
tree
2017-09-11
Szilárd Páll
NVIDIA Volta perf
o
rmance tweaks
commit
|
commitdiff
|
tree
2017-08-29
Szilárd
Páll
Fix typ
o
an
d
tweak env var docs
commit
|
commitdiff
|
tree
2017-08-29
Szil
á
rd Pá
l
l
Avoi
d
d
ivision by ze
r
o is p
r
u
n
ing p
a
rt calculation
commit
|
commitdiff
|
tree
2017-08-21
S
z
ilárd P
á
ll
Add OpenC
L
pruni
n
g ke
r
n
els a
n
d l
a
u
nch/
t
iming l
o
gic
commit
|
commitdiff
|
tree
2017-08-18
Szilárd P
á
l
l
Imp
r
ove awkward ha
n
dling of GMX_CUDA_TARGE
T
*
h
elp
commit
|
commitdiff
|
tree
2017-08-18
S
zilá
r
d Páll
Add CUDA
p
runing ker
n
els and
launch/timing logic
commit
|
commitdiff
|
tree
2017-07-27
Szilárd Pál
l
Inform us
e
r
s about the end of run DLB state
commit
|
commitdiff
|
tree
2017-06-26
Sz
i
lárd Páll
Ad
d
ARM_NEON_
A
SI
M
D post-submit test
commit
|
commitdiff
|
tree
2017-06-21
Szilárd Páll
R
e
-
e
nable lost
D
D warning + mi
n
or code mode
r
nization
commit
|
commitdiff
|
tree
2017-06-20
Szilárd Páll
Re-enable
ac
c
identally lost DD warning
commit
|
commitdiff
|
tree
2017-06-20
Szilárd Páll
Refact
o
ring + clarificatio
n
of
DLB
s
tate handling
commit
|
commitdiff
|
tree
2017-06-15
Szilárd Páll
A
l
low
d
i
sabli
n
g the explicit use of CUDA textures
commit
|
commitdiff
|
tree
2017-06-07
Szilárd Páll
S
u
ppress
sm_2x dep
r
eca
t
ion warning with
CUDA
8
.
0
commit
|
commitdiff
|
tree
2017-06-05
S
z
il
á
r
d
Páll
Add CUDA 8
.
0 +
S
I
MD pre-submit test
commit
|
commitdiff
|
tree
2017-06-02
Szilá
r
d Páll
Add A
R
M_NE
O
N
p
os
t
-
s
ubmit tes
t
commit
|
commitdiff
|
tree
2017-05-29
Szilárd Páll
Quotes are cool,
typo
-
free ones are even "cooler"
commit
|
commitdiff
|
tree
2017-05-23
S
z
ilár
d
P
á
l
l
Add basi
c
doxyge
n
for
the Verlet nonbonde
d
module
commit
|
commitdiff
|
tree
2017-03-29
Szilárd Páll
Refactor CUD
A
kernel use of tables
commit
|
commitdiff
|
tree
2017-03-29
Szilá
r
d Páll
Ad
d
CUDA uti
l
fun
c
tion for constant loads
commit
|
commitdiff
|
tree
2017-03-25
Szilárd Páll
Conditi
o
n
a
l twe
a
k in the
n
onbonded GPU kernels
commit
|
commitdiff
|
tree
2017-03-17
Szilárd Páll
Allow bypassing OpenCL device compa
t
ibili
t
y ch
e
ck
commit
|
commitdiff
|
tree
2017-03-16
S
z
i
lárd Pá
l
l
Print c
o
de of
u
nk
n
o
wn OpenC
L
e
r
ror
commit
|
commitdiff
|
tree
2017-03-09
Szilárd Páll
Fix mdrun hanging upon exit with
s
ep PM
E
r
ank
s
commit
|
commitdiff
|
tree
2017-01-24
Szilárd Páll
Remo
v
e unused
a
r
gu
m
e
n
t
i
n
G
PU kerne
l
s
commit
|
commitdiff
|
tree
2016-12-09
S
zilárd P
á
ll
Turn o
f
f hwloc
s
upport
when
sta
t
ic l
i
b f
o
und
commit
|
commitdiff
|
tree
2016-11-17
Szilár
d
Páll
Correct kernel launch bounds fo
r
CUDA sm_6
0
commit
|
commitdiff
|
tree
2016-11-01
S
z
ilárd
P
áll
Merge "Merge
b
ranch release-20
1
6"
commit
|
commitdiff
|
tree
2016-10-28
Szi
l
árd
Pá
l
l
GPU-rela
t
ed
ad
d
itions to the install
/
u
s
er guide
commit
|
commitdiff
|
tree
2016-10-27
S
z
ilárd
P
áll
M
a
ke -c
l
-fast-r
e
laxed-math
d
efault
commit
|
commitdiff
|
tree
2016-10-26
Sz
i
l
ár
d
P
áll
Add GMX_DI
S
ABLE_GPU_TIMING env var
commit
|
commitdiff
|
tree
2016-10-09
Szilárd Páll
C
orrect ker
n
el lau
n
ch b
o
unds for CUDA sm_60
commit
|
commitdiff
|
tree
2016-08-27
Szilárd Páll
Ma
k
e ASAN/TS
A
N/MS
A
N
b
uild types easier
to
d
iscover
commit
|
commitdiff
|
tree
2016-07-08
S
zil
á
rd Pá
l
l
Add PDF metadat
a
to the manua
l
commit
|
commitdiff
|
tree
2016-07-08
S
z
i
l
árd Páll
U
s
er guide
cla
r
ifi
c
ations
commit
|
commitdiff
|
tree
2016-07-07
Szilárd Pá
l
l
Add user guide info on C
U
DA application
clocks
commit
|
commitdiff
|
tree
2016-07-05
Szil
á
rd Páll
Docum
e
n
t
G
MX_GPU_APPLICATION_C
L
OCKS
commit
|
commitdiff
|
tree
2016-07-04
S
z
ilárd
P
áll
D
i
s
a
b
l
e NVID
I
A
J
IT c
a
che with OpenCL
commit
|
commitdiff
|
tree
2016-06-14
Szilárd Páll
Fi
x
CUDA build wi
t
h multi
p
le compilation units
commit
|
commitdiff
|
tree
2016-06-05
Sz
i
l
árd Páll
Add s
u
pport for C
U
DA CC 6
.
0/6
.
1
commit
|
commitdiff
|
tree
2016-06-02
Szilárd Páll
A
dd e
n
v
.
var
.
to enable OpenCL cach
i
ng
commit
|
commitdiff
|
tree
2016-06-02
Szi
l
árd Páll
Fix O
p
enCL b
i
nary
cache file nam
e
generation
commit
|
commitdiff
|
tree
2016-05-05
Szilárd Páll
Remov
e
CUD
A
host comp
i
ler cons
i
stency checks
commit
|
commitdiff
|
tree
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