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Merge release-2019 branch into master
2018-12-18
S
z
i
l
árd Páll
M
e
rge r
e
lease-2
0
19 branch
i
nt
o
master
commit
|
commitdiff
|
tree
2018-12-17
Sz
i
l
á
rd Pál
l
Fix GMX_
B
UILD
_
OWN_FFTW
_
URL
C
Make cache entry type
commit
|
commitdiff
|
tree
2018-12-14
Szi
l
á
r
d Páll
En
a
ble A
R
MPL in the a
r
mclang build
commit
|
commitdiff
|
tree
2018-12-13
S
z
ilárd Páll
Avoid
spurious timing i
n
b
onded GPU laun
c
h
su
b
count
e
r
commit
|
commitdiff
|
tree
2018-12-13
S
z
i
lárd
P
á
l
l
Docume
n
t th
e
FP exceptio
n
i
n
c
u
FFT 7
.
0
commit
|
commitdiff
|
tree
2018-12-12
Szilárd Páll
Improve
DLB report/note
commit
|
commitdiff
|
tree
2018-12-11
Szilárd Páll
Tweak the bond
e
d GPU energy copy/wait operations
commit
|
commitdiff
|
tree
2018-12-06
S
z
ilárd
P
áll
Add Bonded GPU launch ove
r
head c
y
c
l
e
subco
u
nter
commit
|
commitdiff
|
tree
2018-12-06
Szilárd Páll
Swap t
h
e
or
d
e
r of GPU
bonded a
n
d nonbonded launch
commit
|
commitdiff
|
tree
2018-12-06
Szilárd Páll
Fix con
d
itional in non
l
o
c
al
nbnxn GP
U
work
s
k
ipping
commit
|
commitdiff
|
tree
2018-12-06
Szilárd Pál
l
S
p
l
it nbnxn input copy and kernel la
u
nch
commit
|
commitdiff
|
tree
2018-12-05
S
z
ilárd Páll
Correct
t
hread
c
ou
n
t in t
h
e PME GPU reduct
i
on
commit
|
commitdiff
|
tree
2018-11-27
Szilárd Páll
Add ARMPL support to admin script
commit
|
commitdiff
|
tree
2018-11-27
Szilárd Páll
Ad
d
tweaks to suppor
t
ARMPL for FFTs
commit
|
commitdiff
|
tree
2018-11-07
Szi
l
árd
P
á
l
l
Re
-
enabl
e
the armclang post-s
u
bmit bu
i
l
d
commit
|
commitdiff
|
tree
2018-11-07
Szilárd
P
á
l
l
Eliminate macro t
h
a
t expands to variable in PME G
P
U
commit
|
commitdiff
|
tree
2018-11-07
Szilárd Páll
Ens
u
re minimu
m
exec width of the
PME OpenCL kernels
commit
|
commitdiff
|
tree
2018-10-14
Szilárd Páll
Fix
more clan
g
-
6 wa
r
nings
i
n CUDA c
o
d
e
commit
|
commitdiff
|
tree
2018-10-14
S
z
ilárd Páll
Modernize
O
pen
C
L memory allocation
f
lags
commit
|
commitdiff
|
tree
2018-10-10
S
zilárd Páll
Swap
c
ustom Ope
n
C
L
memset kernel for clE
n
q
ueueFi
l
l
Buffe
r
commit
|
commitdiff
|
tree
2018-10-09
S
z
il
á
rd Páll
U
p
date regressiontest ref to download
commit
|
commitdiff
|
tree
2018-10-08
Szilárd Páll
Tweak FindFFTW API checks
commit
|
commitdiff
|
tree
2018-10-08
Szilárd Páll
Fix clang
-
6 warnin
g
s
commit
|
commitdiff
|
tree
2018-10-08
Szilárd Páll
Repla
c
e some
N
U
LL with
n
u
llptr in CUDA code
commit
|
commitdiff
|
tree
2018-10-07
Szilárd Pá
l
l
Us
e
n
e
w GP
U
sla
v
e for
A
MD OpenC
L
verif
y
runs
commit
|
commitdiff
|
tree
2018-10-05
Sz
i
lárd Páll
Upda
t
e tes
t
matrices with
ne
w
GPU
specifiers
commit
|
commitdiff
|
tree
2018-09-29
Sz
i
lá
r
d Pál
l
Fix
c
onstra
i
nts
c
ycle cou
n
ting
commit
|
commitdiff
|
tree
2018-09-21
S
z
ilárd Páll
Bump test timeout only for Ope
n
C
L integration t
e
sts
commit
|
commitdiff
|
tree
2018-08-28
Szilárd Páll
Quiet cma
k
e about c
l
FFT not fou
n
d
after first
r
u
n
commit
|
commitdiff
|
tree
2018-08-21
Szilárd
Páll
Request flushing denorm
s
to zero
in OpenCL
commit
|
commitdiff
|
tree
2018-08-20
Szi
l
árd Pá
l
l
Disa
b
le single co
m
pilation
uni
t
w
i
th
CUDA
9
.
0
commit
|
commitdiff
|
tree
2018-08-15
S
zilárd Pá
l
l
Improve GPU detection sanity c
h
eck err
o
r message
commit
|
commitdiff
|
tree
2018-07-30
Szilárd Páll
Mo
v
e
out OpenC
L
dev
i
ce utils from vect
y
pe ops
commit
|
commitdiff
|
tree
2018-07-30
Szilárd P
á
ll
Improve the robustness of
t
he nvcc CMake che
c
k
commit
|
commitdiff
|
tree
2018-07-30
Szilá
r
d Páll
Fix
n
vcc h
o
st compiler check t
r
igger
i
ng
commit
|
commitdiff
|
tree
2018-07-29
Szilá
r
d Páll
C
orrectio
n
s to the use
r
guide mdrun perf
secti
o
n
commit
|
commitdiff
|
tree
2018-06-12
Szilár
d
Páll
Also is
s
ue
O
MP_NUM_THREA
D
S reading note to
the
l
og
commit
|
commitdiff
|
tree
2018-06-04
S
z
ilárd Páll
Fix tim
i
ng of clFFT kernels
commit
|
commitdiff
|
tree
2018-05-29
Szilárd P
á
ll
Swit
c
h to CUDA 9
.
2 + gcc 7
commit
|
commitdiff
|
tree
2018-04-26
Szilárd
P
áll
Bump required CUDA version to 7
.
0
commit
|
commitdiff
|
tree
2018-04-23
Szilárd Páll
F
i
x icc w
a
rning in po
s
t-s
u
bmit
commit
|
commitdiff
|
tree
2018-04-21
Szilárd
P
áll
Add post-
s
u
bmit with ARM HPC Toolchai
n
commit
|
commitdiff
|
tree
2018-04-21
Szilárd Páll
Tweak PM
E
run mode che
c
ks
commit
|
commitdiff
|
tree
2018-04-20
Szi
l
árd Páll
Min
o
r fix for pre-
s
ubmit
m
atrix
d
ocs
commit
|
commitdiff
|
tree
2018-04-19
Szilárd Pál
l
M
o
ve
the PM
E
GPU clearing to the
e
n
d of the s
t
ep
commit
|
commitdiff
|
tree
2018-04-16
Szil
á
rd Páll
Add pos
t
-su
b
mit test with
hwloc off
commit
|
commitdiff
|
tree
2018-04-13
Szi
l
á
r
d Pál
l
Use
t
riva
l
ue option for GMX_
H
WLOC
commit
|
commitdiff
|
tree
2018-04-05
Szil
á
rd Pá
l
l
Refa
c
tor cj prelo
a
d
in
t
he nonb
o
nded OpenCL kernels
commit
|
commitdiff
|
tree
2018-03-29
S
z
ilárd Páll
Tweak/enable i
c
c 18
p
ost-s
u
bmit tests
commit
|
commitdiff
|
tree
2018-03-29
Sz
i
lárd Páll
Switch CUDA 9
.
0/gcc
5
test to CUDA 9
.
1/g
c
c
6
commit
|
commitdiff
|
tree
2018-03-13
S
zilárd Pál
l
Requ
i
re Op
e
nCL 1
.
2
commit
|
commitdiff
|
tree
2018-03-13
Szil
á
rd Páll
Fix clang 6
.
0 with CUDA 9
.
0
commit
|
commitdiff
|
tree
2018-03-12
Szilár
d
Páll
Avoi
d
icc-specific -marc
h
=
co
r
e
-avx2 flag with gcc/cla
n
g
commit
|
commitdiff
|
tree
2018-03-06
Szi
l
á
rd Páll
Ex
t
end "Finding out how t
o
run mdrun better"
s
ect
i
on
commit
|
commitdiff
|
tree
2018-03-05
Szilá
r
d Páll
Add
t
o th
e
co
n
t
r
ib
u
tor sec
t
ion
commit
|
commitdiff
|
tree
2018-02-21
Sz
i
lárd Páll
Switc
h
pre-
s
ubmi
t
CUDA 8
.
0 test
t
o 9
.
0
commit
|
commitdiff
|
tree
2018-02-20
Szilá
r
d Páll
Avoi
d
aborting md
r
un when GP
U
sanity ch
e
ck detects
.
.
.
commit
|
commitdiff
|
tree
2018-02-14
Szil
á
rd P
á
ll
Re
m
o
ve barriers
p
reventing texture reference ra
c
e
s
commit
|
commitdiff
|
tree
2018-02-12
Szilá
r
d Páll
R
e
m
ov
e
single
/
multi compilation unit
s
witch
i
ng
l
ogic
commit
|
commitdiff
|
tree
2018-02-12
Szi
l
ár
d
Pá
l
l
Remo
v
e texture reference support in the CUDA
commit
|
commitdiff
|
tree
2018-01-12
Szilárd Páll
Call GPU profiler
r
eset on separate PME ranks
commit
|
commitdiff
|
tree
2018-01-10
Sz
i
lárd Páll
User
g
uide updates to GPU sect
i
on
commit
|
commitdiff
|
tree
2018-01-10
Sz
i
l
á
rd Páll
Rel
e
ase notes tweak
s
commit
|
commitdiff
|
tree
2018-01-10
Sz
i
lárd P
á
ll
Install guide
u
pdates
commit
|
commitdiff
|
tree
2018-01-10
Szilárd Páll
Environment variable docs m
a
i
n
tenance
commit
|
commitdiff
|
tree
2017-12-10
S
z
ilárd
Páll
Disable
d
efa
u
lt-on
NVML support in CMake
commit
|
commitdiff
|
tree
2017-12-06
Szilárd Páll
Imp
l
ement alternati
n
g GPU
w
a
i
t
commit
|
commitdiff
|
tree
2017-11-28
Szilárd Pál
l
Separate local GPU
NB wait
f
ro
m
emulation launch
commit
|
commitdiff
|
tree
2017-11-28
Szilá
r
d Páll
R
e
fa
c
tor GPU rol
l
ing prune laun
c
h
commit
|
commitdiff
|
tree
2017-11-27
Szilárd
Páll
Time FFT/ga
t
her in mix
e
d mode
commit
|
commitdiff
|
tree
2017-11-24
Szilárd Páll
Add GPU sharing pos
t
-submit config
commit
|
commitdiff
|
tree
2017-11-23
Szilárd Páll
M
ove GPU FFT
/
g
a
ther
launch after GPU
nonb
o
ndeds
commit
|
commitdiff
|
tree
2017-11-07
Szil
á
r
d
P
á
ll
Use -mav
x
2 -mfma in
s
tead of -m
a
rch with AVX2
commit
|
commitdiff
|
tree
2017-11-07
Szilárd
P
áll
Mer
g
e common
n
b
nx
n
C
U
DA/Open
C
L GPU wait code-pa
t
hs
commit
|
commitdiff
|
tree
2017-11-07
Szilárd
Páll
Add wallcycle timer
f
o
r the P
M
E GPU F red
u
ction
commit
|
commitdiff
|
tree
2017-11-07
Szil
á
rd Páll
S
p
lit of
f
n
bnxn GPU timing an
d
staging r
e
duction
commit
|
commitdiff
|
tree
2017-11-07
Sz
i
lárd Páll
Deduplica
t
e
C
UDA
and OpenCL timer struct
commit
|
commitdiff
|
tree
2017-10-31
Szi
l
á
rd P
á
l
l
Fix ns
t
list increase warning print
commit
|
commitdiff
|
tree
2017-10-31
Szilárd Páll
C
heck CU
D
A available/compiled
code co
m
pa
t
ibility
commit
|
commitdiff
|
tree
2017-10-31
Sz
i
lár
d
Páll
F
ix nstlist i
n
crease warning print
commit
|
commitdiff
|
tree
2017-10-26
Szilárd Pá
l
l
Reorganize PM
E
GPU launc
h
commit
|
commitdiff
|
tree
2017-10-23
S
z
ilárd P
á
ll
Eliminate some OCL/CUDA cod
e
cod
e
duplication
commit
|
commitdiff
|
tree
2017-10-19
Szilárd Páll
Disable OpenMP with clang 3
.
4 post-su
b
mit
c
o
nfig
commit
|
commitdiff
|
tree
2017-10-19
Szilárd
Pál
l
Remove un
i
sed OpenCL debu
g
ging helpers
commit
|
commitdiff
|
tree
2017-10-12
Sz
i
lárd Páll
Remo
v
e the size_t from the
P
ME g
a
ther CUDA kenels
commit
|
commitdiff
|
tree
2017-10-05
Szilárd Páll
R
e
f
a
ctor scaled
box handling for PME/Ewald
commit
|
commitdiff
|
tree
2017-10-05
Szi
l
árd Páll
Fix p
a
ir list
array asser
t
io
n
commit
|
commitdiff
|
tree
2017-10-05
Szilárd Páll
Av
o
id -Wmissing-prototypes warnings in cl
a
ng CUDA
b
u
ilds
commit
|
commitdiff
|
tree
2017-10-03
Szilá
r
d Páll
Move E
w
ald splitting-related c
o
de
to e
w
ald-ut
i
ls
commit
|
commitdiff
|
tree
2017-10-03
Szi
l
árd Pá
l
l
Enable compi
l
ing CUDA devi
c
e co
d
e with clang
commit
|
commitdiff
|
tree
2017-09-28
Szilárd Pá
l
l
C
orrect misplaced
CU
D
A
t
i
ming event record
commit
|
commitdiff
|
tree
2017-09-26
Szil
á
rd Páll
Rena
m
e GP
U
launch/wait cyc
l
e
c
ounters
commit
|
commitdiff
|
tree
2017-09-18
Szil
á
rd P
á
ll
Min
o
r refactori
n
g of
C
U
DA non-bonded ker
n
e
l
s
commit
|
commitdiff
|
tree
2017-09-14
Szilárd Páll
CUDA 9/
V
o
l
ta supp
o
rt for
the pruning
k
ernel
commit
|
commitdiff
|
tree
2017-09-12
Szil
á
r
d
P
áll
Merge branch '
r
e
lease-2
0
16'
commit
|
commitdiff
|
tree
2017-09-11
S
z
il
á
rd
Pá
l
l
NVIDIA Volta perfor
m
ance
t
wea
k
s
commit
|
commitdiff
|
tree
2017-08-29
Sz
i
lárd
P
áll
Fix typo and tweak e
n
v
v
a
r
docs
commit
|
commitdiff
|
tree
2017-08-29
Szilárd Páll
Avoid division by zero is prun
i
ng part cal
c
ulati
o
n
commit
|
commitdiff
|
tree
2017-08-21
Szilárd
Páll
A
d
d Op
e
n
CL
p
runing kernels and l
a
unch/timin
g
logic
commit
|
commitdiff
|
tree
2017-08-18
Sz
i
lárd Páll
Improve awkward h
a
n
d
ling of GM
X
_CUDA_TARGET* help
commit
|
commitdiff
|
tree
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