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Only issue FFT warning messages on changes
2017-11-07
Szilárd Páll
Us
e
-mavx2
-
mf
m
a
i
nste
a
d of
-
march with AVX2
commit
|
commitdiff
|
tree
2017-11-07
Szilárd Páll
Merge commo
n
nbnxn CUD
A
/OpenCL GPU wait code-pa
t
h
s
commit
|
commitdiff
|
tree
2017-11-07
S
z
ilá
r
d P
á
ll
A
d
d w
a
l
l
cy
c
le timer for
the P
M
E GPU F reduction
commit
|
commitdiff
|
tree
2017-11-07
S
z
i
l
árd Páll
Spli
t
o
ff
nbnx
n
GPU timing and staging redu
c
t
i
on
commit
|
commitdiff
|
tree
2017-11-07
Sz
i
l
á
rd Páll
Ded
u
p
l
i
cate CUD
A
and O
p
enCL timer str
u
c
t
commit
|
commitdiff
|
tree
2017-10-31
S
z
il
á
r
d
P
áll
F
i
x nstlist
i
ncrease
warning print
commit
|
commitdiff
|
tree
2017-10-31
Szilárd Pál
l
Che
c
k CUDA availa
b
le/compiled code compatibility
commit
|
commitdiff
|
tree
2017-10-31
Szilá
r
d Páll
F
i
x nst
l
ist increas
e
warni
n
g
pr
i
nt
commit
|
commitdiff
|
tree
2017-10-26
Szilárd Páll
Reorgan
i
ze PM
E
GPU launch
commit
|
commitdiff
|
tree
2017-10-23
Szilárd Páll
Eliminate some OCL/CU
D
A code
code
d
uplicatio
n
commit
|
commitdiff
|
tree
2017-10-19
Szi
l
árd
Pá
l
l
Disa
b
le OpenMP with clan
g
3
.
4 post-subm
i
t
co
n
f
i
g
commit
|
commitdiff
|
tree
2017-10-19
Szilárd Pál
l
Remove uni
s
ed OpenC
L
debugging helpers
commit
|
commitdiff
|
tree
2017-10-12
Szilárd Páll
Remove t
h
e size_t
from
the
PME ga
t
her CUDA kenels
commit
|
commitdiff
|
tree
2017-10-05
Szilárd
P
á
l
l
R
efactor scaled
bo
x
handl
i
ng for
PME/Ewald
commit
|
commitdiff
|
tree
2017-10-05
Szi
l
á
r
d Páll
Fix
pair
l
i
s
t array assertion
commit
|
commitdiff
|
tree
2017-10-05
S
zilárd Páll
Avo
i
d -Wmiss
i
ng-p
r
o
totyp
e
s warn
i
ngs in
clang CUD
A
builds
commit
|
commitdiff
|
tree
2017-10-03
Szilárd Pál
l
Move
E
wald s
p
l
i
ttin
g
-rel
a
ted code
t
o ewald-
u
tils
commit
|
commitdiff
|
tree
2017-10-03
Szi
l
ár
d
P
á
ll
Enable compiling CUDA d
e
vice code wi
t
h clang
commit
|
commitdiff
|
tree
2017-09-28
S
z
ilárd Páll
Correct misplaced CUDA t
i
m
ing
event record
commit
|
commitdiff
|
tree
2017-09-26
Szil
á
rd Páll
R
en
a
m
e
GPU laun
c
h/wait cycle counters
commit
|
commitdiff
|
tree
2017-09-18
Szilárd
Páll
M
inor refactoring
of C
U
DA no
n
-bonded
kernels
commit
|
commitdiff
|
tree
2017-09-14
Szilárd Páll
CUDA 9
/
Volta support for t
h
e prun
i
ng
k
ernel
commit
|
commitdiff
|
tree
2017-09-12
Szi
l
árd
P
áll
M
e
rge b
r
a
n
c
h 'releas
e
-
2016'
commit
|
commitdiff
|
tree
2017-09-11
Szilá
r
d Pá
l
l
NV
I
DIA Volta performa
n
ce
twe
a
ks
commit
|
commitdiff
|
tree
2017-08-29
S
z
i
lárd Páll
Fix typo and
t
weak env var docs
commit
|
commitdiff
|
tree
2017-08-29
Szilárd Pá
l
l
Avoid division by
zero is p
r
uning part cal
c
ulation
commit
|
commitdiff
|
tree
2017-08-21
Szilárd Páll
Add O
p
enCL p
r
uning kernels an
d
lau
n
ch/timing lo
g
ic
commit
|
commitdiff
|
tree
2017-08-18
S
z
ilárd Páll
I
mprove awkward hand
l
ing
o
f
GMX
_
CUDA_TARG
E
T* help
commit
|
commitdiff
|
tree
2017-08-18
Szilárd Páll
Add
C
UDA pr
u
ning kerne
l
s an
d
launch
/
t
i
ming logic
commit
|
commitdiff
|
tree
2017-07-27
Szi
l
árd Páll
Inf
o
rm users about
the
e
nd of
r
un DLB state
commit
|
commitdiff
|
tree
2017-06-26
Szilárd
Páll
A
dd ARM_N
E
ON_A
S
I
MD
p
os
t
-submit te
s
t
commit
|
commitdiff
|
tree
2017-06-21
Szil
á
rd Páll
Re-e
n
able los
t
DD warning + minor code moder
n
ization
commit
|
commitdiff
|
tree
2017-06-20
S
zilárd
Páll
R
e-enable accidentally
lost DD warning
commit
|
commitdiff
|
tree
2017-06-20
Szilá
r
d Páll
R
efactoring + clar
i
fic
a
t
i
on o
f
D
L
B
stat
e
handl
i
ng
commit
|
commitdiff
|
tree
2017-06-15
S
z
i
lárd Páll
Allow disabling the
explicit use of
C
U
DA te
x
tures
commit
|
commitdiff
|
tree
2017-06-07
S
zilárd Páll
Suppre
s
s s
m
_2x depreca
t
ion war
n
ing
with
C
UD
A
8
.
0
commit
|
commitdiff
|
tree
2017-06-05
S
zi
l
árd Páll
Add CUDA 8
.
0 + SIMD pre-sub
m
it test
commit
|
commitdiff
|
tree
2017-06-02
Szilár
d
P
á
l
l
Add ARM_N
E
O
N post-submit test
commit
|
commitdiff
|
tree
2017-05-29
Szilárd
Páll
Qu
o
tes
ar
e
c
ool
,
ty
p
o-fre
e
ones are eve
n
"cooler"
commit
|
commitdiff
|
tree
2017-05-23
S
z
ilárd Páll
Add basic doxygen for t
h
e Verl
e
t
nonbond
e
d module
commit
|
commitdiff
|
tree
2017-03-29
Szilárd Páll
Ref
a
ctor CUD
A
kernel use of tables
commit
|
commitdiff
|
tree
2017-03-29
Szi
l
árd Páll
A
dd
C
U
DA util function for const
a
n
t lo
a
ds
commit
|
commitdiff
|
tree
2017-03-25
Szilárd Páll
Con
d
iti
o
nal tweak in
t
he nonbonded GPU kernels
commit
|
commitdiff
|
tree
2017-03-17
Szilárd Páll
A
l
l
ow bypassing
OpenCL device com
p
atibil
i
ty chec
k
commit
|
commitdiff
|
tree
2017-03-16
Szil
á
rd Páll
Print c
o
de of unk
n
ow
n
Op
e
nC
L
e
r
ror
commit
|
commitdiff
|
tree
2017-03-09
S
z
i
lárd Páll
F
i
x
md
r
un h
a
n
g
ing upon exit with s
e
p PME ranks
commit
|
commitdiff
|
tree
2017-01-24
Szilárd P
á
ll
R
emove unused ar
g
ume
n
t in
GPU kernels
commit
|
commitdiff
|
tree
2016-12-09
Szilárd Páll
Turn off hwloc support w
h
en s
t
atic lib
f
o
u
n
d
commit
|
commitdiff
|
tree
2016-11-17
Szilárd Páll
Cor
r
ect
k
ernel launc
h
bo
u
n
ds for CUDA sm_60
commit
|
commitdiff
|
tree
2016-11-01
Sz
i
l
á
r
d Pál
l
M
erge "Merge branch rel
e
ase-2016"
commit
|
commitdiff
|
tree
2016-10-28
Szilárd P
á
l
l
GP
U
-re
l
ated
ad
d
i
tions t
o
the install/us
e
r guide
commit
|
commitdiff
|
tree
2016-10-27
Szilárd P
á
l
l
Make -cl-f
a
st-relaxed-math d
e
fault
commit
|
commitdiff
|
tree
2016-10-26
S
zilárd Páll
Add GMX_D
I
SABLE_GPU_TIMING env var
commit
|
commitdiff
|
tree
2016-10-09
Szilárd
P
áll
Cor
r
ect kernel launch bounds for CUDA s
m
_6
0
commit
|
commitdiff
|
tree
2016-08-27
Szilárd Páll
Make ASAN/TSAN/MSAN build
t
ypes eas
i
er to discover
commit
|
commitdiff
|
tree
2016-07-08
Szilá
r
d Páll
Ad
d
PDF metadat
a
to the manual
commit
|
commitdiff
|
tree
2016-07-08
Szilárd
Páll
User g
u
ide clarifications
commit
|
commitdiff
|
tree
2016-07-07
Szilárd Páll
Ad
d
user gui
d
e
info o
n
CUDA application
clock
s
commit
|
commitdiff
|
tree
2016-07-05
Szilárd Páll
Document
G
MX_GPU_
A
P
PLICATION_CLOCKS
commit
|
commitdiff
|
tree
2016-07-04
S
zi
l
árd
P
á
ll
Disable NV
I
DIA J
I
T cac
h
e with OpenCL
commit
|
commitdiff
|
tree
2016-06-14
Szilárd Pál
l
F
ix CUDA buil
d
with m
u
lt
i
ple c
o
m
p
ilation units
commit
|
commitdiff
|
tree
2016-06-05
Szil
á
rd Páll
Add support for CUDA CC 6
.
0/6
.
1
commit
|
commitdiff
|
tree
2016-06-02
Szilárd Páll
Add env
.
var
.
to enable O
p
enCL caching
commit
|
commitdiff
|
tree
2016-06-02
Sz
i
l
árd Páll
Fix Open
C
L binar
y
cache file name gen
e
r
a
tion
commit
|
commitdiff
|
tree
2016-05-05
S
zilárd
Páll
Remove
CUDA host com
p
i
ler consistency checks
commit
|
commitdiff
|
tree
2016-04-28
Szilár
d
P
á
l
l
W
o
rkaround for gcc fa
l
se positive warning
commit
|
commitdiff
|
tree
2016-04-27
Szilárd Pá
l
l
Fi
x
multiple MPI ranks per node
with OpenCL
commit
|
commitdiff
|
tree
2016-04-26
Szilár
d
P
á
l
l
Fix OpenCL assertion
commit
|
commitdiff
|
tree
2016-04-19
S
z
ilárd Páll
Move o
u
t CUDA profiler t
r
igge
r
s from NBNXN
commit
|
commitdiff
|
tree
2016-04-13
Szilá
r
d
P
áll
Sp
e
l
ling fixes
commit
|
commitdiff
|
tree
2016-04-13
Szilárd Páll
Do n
o
t create emp
t
y man/man7
directory
commit
|
commitdiff
|
tree
2016-04-04
Szilá
r
d Páll
Mark more vari
a
bles as
ad
v
anced
commit
|
commitdiff
|
tree
2016-03-31
Szilárd Páll
r
efa
c
to
r
CUDA text
u
re-based table ini
t
ializati
o
n
commit
|
commitdiff
|
tree
2016-03-31
S
zil
á
rd Páll
Fix
m
ulti
p
le tMPI r
a
nk
s
p
er Ope
n
CL de
v
i
ce
commit
|
commitdiff
|
tree
2016-03-30
Szi
l
árd P
á
ll
LJ combinat
i
on rule
kernels for OpenCL
commit
|
commitdiff
|
tree
2016-03-30
Szilárd
Pá
l
l
Re-enabl
e
i-ato
m
type local me
m
prefetch in OpenCL
commit
|
commitdiff
|
tree
2016-03-30
S
z
ilárd Páll
Describe AM
D
APPSDK 3
.
0
is
s
ues in the guide
commit
|
commitdiff
|
tree
2016-03-17
S
zilárd Páll
Fixed OpenCL e/
f
shift
c
l
e
ar kernel first invocati
o
n
commit
|
commitdiff
|
tree
2016-02-26
Szi
l
ár
d
P
á
l
l
Fix leftover
load()
c
all
s
i
n
t
he simd util h
e
a
d
ers
commit
|
commitdiff
|
tree
2016-02-19
Szilárd Páll
Fix OpenCL table in
t
erpolati
o
ns of Ewald c
o
rrection
commit
|
commitdiff
|
tree
2016-02-17
S
zilárd Páll
r
eintroduce supercl interaction mask cons
t
ant
commit
|
commitdiff
|
tree
2016-02-17
Szilárd Páll
change macr
o
s to co
n
stants i
n
GPU c
o
d
e
commit
|
commitdiff
|
tree
2016-02-15
S
z
i
lárd Páll
A
l
l
o
w
GMX_NB_MIN_CI=0 to
be
passed
commit
|
commitdiff
|
tree
2016-02-11
Szilárd Páll
Re-enable LJ-PME
+ Lorentz-Be
r
thelot
on GPUs
commit
|
commitdiff
|
tree
2016-02-08
Szilárd Páll
Hand
l
e unifo
r
m
l
y
GMX_O
C
L
_NOG
E
NCAC
H
E
commit
|
commitdiff
|
tree
2016-01-26
Szilár
d
Pál
l
GPU code reorganizati
o
n
a
nd t
w
eaks
commit
|
commitdiff
|
tree
2016-01-20
Szil
á
r
d Páll
Merge rem
o
t
e
-trackin
g
branch
'origin/release-
5
-1' into
.
.
.
commit
|
commitdiff
|
tree
2016-01-09
Sz
i
lár
d
Páll
split NBNXN CUDA kern
e
ls into four compilation
u
nits
commit
|
commitdiff
|
tree
2015-10-15
Sz
i
lárd Páll
Ad
d
CUDA nvcc >=7
.
0
s
u
p
port
commit
|
commitdiff
|
tree
2015-10-15
S
z
ilárd Páll
Correct CUDA
ver
s
ion
comparisons
commit
|
commitdiff
|
tree
2015-05-06
Sz
i
lárd Pál
l
Merge "Merge release-4-6
i
nt
o
r
eleas
e
-5-0"
i
nto relea
s
e-5
-
0
commit
|
commitdiff
|
tree
2015-04-21
Szilárd Pál
l
Allow manually s
e
tting tar
g
et GPU
a
rch
i
tec
t
ures
commit
|
commitdiff
|
tree
2015-04-17
Szilárd Páll
def
i
ne CU
D
A
ve
r
sion and texobj support in confi
g
.
h
commit
|
commitdiff
|
tree
2014-11-29
Szilárd Páll
Ad
d
kerne
l
and compil
e
r
s
uport fo
r
CC
3
.
7
devic
e
s
commit
|
commitdiff
|
tree
2014-11-17
Szilárd Páll
Allow i
n
c
r
eas
i
ng CUDA thread block size
commit
|
commitdiff
|
tree
2014-11-17
Szilárd Páll
Add
CUDA compiler support for CC 5
.
0
commit
|
commitdiff
|
tree
2014-11-14
Szilárd
P
áll
Start nvprof profiling at counter reset
commit
|
commitdiff
|
tree
2014-09-26
Szil
á
rd
Páll
Fix incorre
c
t
ass
e
rtion
statement
commit
|
commitdiff
|
tree
2014-09-09
Sz
i
lárd Páll
Fix
malformed CUDA version macro chec
k
commit
|
commitdiff
|
tree
2014-06-01
S
zilárd Páll
Add quot
e
on the
k
T-kj/mo
l
conversion fac
t
o
r
commit
|
commitdiff
|
tree
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