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Merge "Merge branch release-2018 into release-2019" into release-2019
2018-12-20
S
zilárd
P
ál
l
Merge "Merge branch rel
e
a
s
e
-20
1
8 into re
l
ease-2019
.
.
.
commit
|
commitdiff
|
tree
2018-12-17
Szilárd Páll
Fix GMX_
B
UILD_
O
WN_FFT
W
_URL CMake cache entry type
commit
|
commitdiff
|
tree
2018-12-14
Szilárd
P
ál
l
Enable
ARMPL
i
n the a
r
mclan
g
build
commit
|
commitdiff
|
tree
2018-12-13
S
zilárd
P
áll
A
void spurious timing in
bonded
GPU
launch subcounter
commit
|
commitdiff
|
tree
2018-12-13
Szilárd Páll
D
ocume
n
t the
FP e
x
c
e
ption in
cuFFT 7
.
0
commit
|
commitdiff
|
tree
2018-12-12
Szilárd Páll
Im
p
r
ove DLB re
p
or
t
/note
commit
|
commitdiff
|
tree
2018-12-11
S
zilárd
Pá
l
l
Tweak th
e
bonded
GPU energy copy/wait operations
commit
|
commitdiff
|
tree
2018-12-06
Szi
l
árd
P
áll
Add
Bond
e
d GPU laun
c
h
o
verhead cycle
s
u
b
count
e
r
commit
|
commitdiff
|
tree
2018-12-06
Szi
l
árd Páll
S
w
ap the ord
e
r
of GPU bon
d
ed and
nonb
o
nded la
u
n
c
h
commit
|
commitdiff
|
tree
2018-12-06
Sz
i
lárd Páll
Fix
c
ondi
t
ion
a
l
in no
n
local
nbnxn
G
PU
w
ork skip
p
i
ng
commit
|
commitdiff
|
tree
2018-12-06
Szil
á
rd Pá
l
l
Split n
b
nxn input
c
opy an
d
kernel launch
commit
|
commitdiff
|
tree
2018-12-05
Szilárd Páll
Correct thread co
u
nt in
the P
M
E GPU reduction
commit
|
commitdiff
|
tree
2018-11-27
Szi
l
á
rd Pá
l
l
Add
ARMPL suppor
t
to adm
i
n script
commit
|
commitdiff
|
tree
2018-11-27
Szilárd Páll
Add tweaks to support ARMPL for FF
T
s
commit
|
commitdiff
|
tree
2018-11-07
Sz
i
lárd Páll
Re-
e
nab
l
e the
a
r
m
clang po
s
t-s
u
bmit bu
i
ld
commit
|
commitdiff
|
tree
2018-11-07
Szilárd
Páll
Eliminate macr
o
that
ex
p
ands to var
i
a
b
le in PME GPU
commit
|
commitdiff
|
tree
2018-11-07
S
zilár
d
P
á
ll
E
n
s
u
r
e
minimum e
x
ec width of the
PME Open
C
L kernels
commit
|
commitdiff
|
tree
2018-10-14
Szilárd Páll
Fix
more clang-
6
warnings in
CUDA code
commit
|
commitdiff
|
tree
2018-10-14
Szilárd Pá
l
l
Modernize OpenCL memory allocation flags
commit
|
commitdiff
|
tree
2018-10-10
S
z
i
lárd Páll
Swap custom OpenCL memse
t
k
ernel for clEnq
u
eueFillBuf
f
er
commit
|
commitdiff
|
tree
2018-10-09
Szilárd Páll
Update reg
r
essi
o
ntest r
e
f to download
commit
|
commitdiff
|
tree
2018-10-08
Szilárd Páll
Tw
e
ak FindFFTW API checks
commit
|
commitdiff
|
tree
2018-10-08
Sz
i
lárd Páll
Fix cl
a
ng-6 w
a
r
n
ings
commit
|
commitdiff
|
tree
2018-10-08
S
z
i
lárd Pál
l
Replace some NULL with n
u
ll
p
tr in CUDA code
commit
|
commitdiff
|
tree
2018-10-07
Szilárd Pá
l
l
Use n
e
w
GPU slave fo
r
AMD
O
penCL verify runs
commit
|
commitdiff
|
tree
2018-10-05
Szilárd Páll
Update te
s
t matrices
wit
h
new GPU
s
peci
f
iers
commit
|
commitdiff
|
tree
2018-09-29
Szilárd Páll
Fix con
s
train
t
s cycle counti
n
g
commit
|
commitdiff
|
tree
2018-09-21
Szilárd
P
á
ll
Bump test time
o
u
t
only
f
or O
p
enCL in
t
egra
t
ion test
s
commit
|
commitdiff
|
tree
2018-08-28
S
z
ilárd Páll
Q
u
iet
cmake
about clFFT not found af
t
e
r first run
commit
|
commitdiff
|
tree
2018-08-21
Szilár
d
P
áll
Re
q
u
e
st flu
s
hing
d
enorms to zero
i
n
OpenC
L
commit
|
commitdiff
|
tree
2018-08-20
Szilárd Páll
Disable
s
i
n
gle com
p
ilation uni
t
with CUDA 9
.
0
commit
|
commitdiff
|
tree
2018-08-15
Sz
i
l
á
r
d
Páll
Improve GPU detectio
n
sanity check er
r
or messa
g
e
commit
|
commitdiff
|
tree
2018-07-30
Szil
á
r
d Páll
Move o
u
t
O
penCL de
v
ice util
s
fro
m
v
ectype o
p
s
commit
|
commitdiff
|
tree
2018-07-30
Szilárd Páll
Improve the ro
b
u
s
tness of the nvcc CMak
e
ch
e
ck
commit
|
commitdiff
|
tree
2018-07-30
S
z
ilá
r
d Páll
Fix nv
c
c h
o
st co
m
piler chec
k
tr
i
ggering
commit
|
commitdiff
|
tree
2018-07-29
Szilárd Páll
Corrections to the user guid
e
mdru
n
p
erf se
c
tion
commit
|
commitdiff
|
tree
2018-06-12
Szilá
r
d
Páll
Also i
s
s
u
e OMP_NU
M
_THREADS r
e
ading
n
ote t
o
the log
commit
|
commitdiff
|
tree
2018-06-04
Szilárd Páll
F
ix timing
o
f
c
lFFT kerne
l
s
commit
|
commitdiff
|
tree
2018-05-29
Sz
i
lárd Páll
Switch to CUDA 9
.
2
+ gcc 7
commit
|
commitdiff
|
tree
2018-04-26
Szilárd Páll
B
ump r
e
quired CUDA versi
o
n t
o
7
.
0
commit
|
commitdiff
|
tree
2018-04-23
Szilárd Páll
Fix
icc warning in po
s
t-submit
commit
|
commitdiff
|
tree
2018-04-21
Szilárd Páll
Add post-submit with ARM HPC
Toolchain
commit
|
commitdiff
|
tree
2018-04-21
S
z
il
á
r
d
Páll
Tweak
P
ME run
mo
d
e
ch
e
cks
commit
|
commitdiff
|
tree
2018-04-20
Szilárd Páll
Minor fix fo
r
pre-submit matrix docs
commit
|
commitdiff
|
tree
2018-04-19
S
z
i
lárd Páll
Move
the PME GPU cleari
n
g to
the end of th
e
step
commit
|
commitdiff
|
tree
2018-04-16
Szilá
r
d Pá
l
l
Add post-s
u
bmit test with h
w
loc off
commit
|
commitdiff
|
tree
2018-04-13
Szilárd Páll
Us
e
trivalue
op
t
ion f
o
r GMX_H
W
LOC
commit
|
commitdiff
|
tree
2018-04-05
Szilárd Páll
Ref
a
ctor cj
p
reload in the nonbonded
O
p
enCL ke
r
n
e
ls
commit
|
commitdiff
|
tree
2018-03-29
Szilárd Páll
Twe
a
k/enab
l
e icc
18 post-submit tests
commit
|
commitdiff
|
tree
2018-03-29
Szilárd Pá
l
l
Switch CUDA 9
.
0
/
gcc 5 te
s
t
t
o CU
D
A 9
.
1/gcc
6
commit
|
commitdiff
|
tree
2018-03-13
Szil
á
rd Páll
Req
u
ire OpenCL
1
.
2
commit
|
commitdiff
|
tree
2018-03-13
S
zilá
r
d
Páll
Fix c
l
ang
6
.
0 with CUDA 9
.
0
commit
|
commitdiff
|
tree
2018-03-12
Szilárd Páll
Avoid
i
cc-specific
-
march=core-avx2 flag with g
c
c/clang
commit
|
commitdiff
|
tree
2018-03-06
Szilárd
Páll
Extend "Fi
n
ding
o
ut how to
run
m
d
run be
t
t
er" sect
i
on
commit
|
commitdiff
|
tree
2018-03-05
Szilárd
P
á
ll
Add to th
e
cont
r
ibut
o
r se
c
tion
commit
|
commitdiff
|
tree
2018-02-21
Szilárd Pál
l
Swit
c
h pre-sub
m
it CUDA 8
.
0 test to 9
.
0
commit
|
commitdiff
|
tree
2018-02-20
Szil
á
rd Páll
Avoid aborting mdrun when GPU sanity c
h
e
c
k detects
.
.
.
commit
|
commitdiff
|
tree
2018-02-14
Szilárd P
á
l
l
Remo
v
e
barrie
r
s preven
t
ing textur
e
reference races
commit
|
commitdiff
|
tree
2018-02-12
Szilárd Páll
R
e
move single/mult
i
compilation unit switc
h
ing logic
commit
|
commitdiff
|
tree
2018-02-12
Szilá
r
d Páll
R
e
move texture reference support in the
CUDA
commit
|
commitdiff
|
tree
2018-01-12
S
z
i
l
ár
d
Páll
Ca
l
l GPU p
r
ofil
e
r res
e
t on separate PME ranks
commit
|
commitdiff
|
tree
2018-01-10
S
zilárd
P
áll
U
ser guide updat
e
s to G
P
U section
commit
|
commitdiff
|
tree
2018-01-10
S
z
ilárd Páll
Release not
e
s tweaks
commit
|
commitdiff
|
tree
2018-01-10
Szil
á
rd Páll
Install guide u
p
dates
commit
|
commitdiff
|
tree
2018-01-10
S
z
ilárd Páll
Envir
o
nment variable docs maintenance
commit
|
commitdiff
|
tree
2017-12-10
Szilárd Páll
Disab
l
e default-o
n
NVML
s
u
pport in C
M
ake
commit
|
commitdiff
|
tree
2017-12-06
Szilárd Pá
l
l
I
m
plement a
l
ternati
n
g GPU
w
a
it
commit
|
commitdiff
|
tree
2017-11-28
Sz
i
lá
r
d Páll
Sepa
r
ate lo
c
a
l
GPU NB
wa
i
t fr
o
m emulati
o
n laun
c
h
commit
|
commitdiff
|
tree
2017-11-28
Szilárd Páll
Refactor
G
P
U
r
olling prune launch
commit
|
commitdiff
|
tree
2017-11-27
Szi
l
árd P
á
ll
Time FFT/ga
t
her in
m
ixed mode
commit
|
commitdiff
|
tree
2017-11-24
Szilárd Páll
Add
G
PU sharing post-submit confi
g
commit
|
commitdiff
|
tree
2017-11-23
Szilárd Páll
Move GP
U
FFT/gath
e
r launch after GP
U
nonbonde
d
s
commit
|
commitdiff
|
tree
2017-11-07
Szilá
r
d P
á
ll
Use -m
a
vx2 -mfma inst
e
ad of -march
w
ith A
V
X2
commit
|
commitdiff
|
tree
2017-11-07
S
zilárd Páll
Merge co
m
mon nbnx
n
CUDA/OpenCL GPU wait cod
e
-path
s
commit
|
commitdiff
|
tree
2017-11-07
Szilárd Páll
A
dd wallcycle time
r
f
or the PM
E
GPU
F
reduction
commit
|
commitdiff
|
tree
2017-11-07
S
zilárd Páll
Split
o
f
f nbnxn
G
P
U timing and
sta
g
ing
reduction
commit
|
commitdiff
|
tree
2017-11-07
Szil
á
rd P
á
ll
Dedupl
i
cate CUDA and OpenC
L
timer str
u
ct
commit
|
commitdiff
|
tree
2017-10-31
Szilárd Pál
l
F
ix nstlist
i
n
c
re
a
se w
a
rn
i
ng print
commit
|
commitdiff
|
tree
2017-10-31
Szilárd Páll
Check CUDA availab
l
e/co
m
piled code com
p
atibility
commit
|
commitdiff
|
tree
2017-10-31
Szilár
d
Páll
F
ix nst
l
i
st increase warning print
commit
|
commitdiff
|
tree
2017-10-26
Szilárd
Páll
Reorgan
i
ze PME GPU
launch
commit
|
commitdiff
|
tree
2017-10-23
Szilá
r
d Páll
El
i
minate some OCL/CUDA code code d
u
pl
i
catio
n
commit
|
commitdiff
|
tree
2017-10-19
Szilárd Pá
l
l
Disable
O
p
enMP with cl
a
ng
3
.
4 post-submit config
commit
|
commitdiff
|
tree
2017-10-19
Szilárd Páll
Re
m
ove unis
e
d
O
p
e
nCL debugging helpers
commit
|
commitdiff
|
tree
2017-10-12
Szi
l
ár
d
Páll
Remove the s
i
ze_t
fro
m
the PME gather CUDA kenels
commit
|
commitdiff
|
tree
2017-10-05
Szi
l
árd Páll
Refac
t
or
s
c
aled
box handli
n
g for PME/Ewald
commit
|
commitdiff
|
tree
2017-10-05
Szilárd
P
áll
Fi
x
pair
l
is
t
array asserti
o
n
commit
|
commitdiff
|
tree
2017-10-05
Szilá
r
d Páll
Avoid -Wm
i
ssi
n
g-
p
rototypes warnings in clang
C
U
D
A b
u
ild
s
commit
|
commitdiff
|
tree
2017-10-03
Szilárd Páll
M
o
ve Ewald splitting-related code
t
o
ewald-utils
commit
|
commitdiff
|
tree
2017-10-03
Szi
l
á
rd Páll
E
nable com
p
i
l
ing CUDA d
e
v
i
ce code
w
ith clang
commit
|
commitdiff
|
tree
2017-09-28
Szil
á
rd
P
áll
Correct misp
l
aced CUDA timing event r
e
cord
commit
|
commitdiff
|
tree
2017-09-26
Szilárd Páll
Re
n
am
e
GPU
laun
c
h
/wait cycle count
e
rs
commit
|
commitdiff
|
tree
2017-09-18
Szil
á
rd Páll
M
i
n
o
r re
f
actoring of CUDA n
o
n-
b
onded
k
e
rnels
commit
|
commitdiff
|
tree
2017-09-14
S
z
i
l
árd Páll
CUDA 9/Volta support for the
pruning kernel
commit
|
commitdiff
|
tree
2017-09-12
S
zilárd Páll
Merge branch 'r
e
lease-2016'
commit
|
commitdiff
|
tree
2017-09-11
Szilárd
P
áll
NVIDIA Volta p
e
r
f
ormance tweaks
commit
|
commitdiff
|
tree
2017-08-29
Szilárd Páll
Fix typ
o
and
t
weak env var d
o
cs
commit
|
commitdiff
|
tree
2017-08-29
Sz
i
lárd
P
áll
Avo
i
d division
b
y
zero is pruning part calculation
commit
|
commitdiff
|
tree
2017-08-21
S
z
i
l
á
rd Páll
A
d
d OpenCL p
r
unin
g
ker
n
els
a
nd launch/
t
im
i
ng lo
g
i
c
commit
|
commitdiff
|
tree
2017-08-18
S
z
ilárd Páll
Improve awkw
a
rd handling of G
M
X_
C
UDA_TARGET* help
commit
|
commitdiff
|
tree
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