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Minor refactoring of CUDA non-bonded kernels
2017-09-18
S
z
ilárd Pá
l
l
Minor r
e
fa
c
toring of CUDA non-bonde
d
kernels
commit
|
commitdiff
|
tree
2017-09-14
Sz
i
lárd
P
áll
CUDA 9/Vo
l
ta
support
f
or the p
r
uning
k
ernel
commit
|
commitdiff
|
tree
2017-09-12
S
zilárd
P
áll
Merge
branc
h
'release-2016'
commit
|
commitdiff
|
tree
2017-09-11
Szilá
r
d Páll
N
VID
I
A
Volta performance tweaks
commit
|
commitdiff
|
tree
2017-08-29
Szilárd Páll
Fix
t
ypo and
t
weak env var d
o
cs
commit
|
commitdiff
|
tree
2017-08-29
Szilá
r
d Páll
Avoid divisio
n
by zero is pruning
p
ar
t
calculation
commit
|
commitdiff
|
tree
2017-08-21
Szil
á
rd Páll
Add Ope
n
CL pruning kernel
s
and
launc
h
/timing logic
commit
|
commitdiff
|
tree
2017-08-18
Szil
á
rd
P
á
ll
Impro
v
e a
w
kward ha
n
dling of G
M
X_CUDA_TARGET* help
commit
|
commitdiff
|
tree
2017-08-18
Sz
i
lárd Páll
Add
C
UDA pruning
ker
n
e
ls and laun
c
h
/timing log
i
c
commit
|
commitdiff
|
tree
2017-07-27
Szilárd Páll
Inform user
s
about the end of r
u
n DLB state
commit
|
commitdiff
|
tree
2017-06-26
Szilárd Páll
Add ARM_
N
EON_A
S
IMD post-
s
ubmit
t
est
commit
|
commitdiff
|
tree
2017-06-21
Szilárd Páll
R
e
-
enable los
t
D
D
warning + m
i
nor c
o
de modernization
commit
|
commitdiff
|
tree
2017-06-20
Szil
á
rd Pá
l
l
Re-enab
l
e
a
c
c
identally l
o
st
D
D wa
r
ning
commit
|
commitdiff
|
tree
2017-06-20
Szilárd P
á
ll
Refactorin
g
+ c
l
arification o
f
DLB
state
h
andling
commit
|
commitdiff
|
tree
2017-06-15
Szilárd Páll
All
o
w di
s
abling the expli
c
it
us
e
of
CUDA texture
s
commit
|
commitdiff
|
tree
2017-06-07
Szilárd Páll
Sup
p
ress sm_2x deprecation warnin
g
with CU
D
A 8
.
0
commit
|
commitdiff
|
tree
2017-06-05
Szil
á
rd Páll
Add CUDA 8
.
0 + S
I
MD pre-
s
u
bmit test
commit
|
commitdiff
|
tree
2017-06-02
Szilárd
Páll
Add ARM_
N
EON po
s
t-su
b
mit test
commit
|
commitdiff
|
tree
2017-05-29
S
zilárd Páll
Q
u
otes ar
e
c
ool, typo
-
f
ree ones are e
v
en "coo
l
e
r"
commit
|
commitdiff
|
tree
2017-05-23
Szilárd
Pál
l
Ad
d
basic doxygen for the Verlet
n
on
b
onded module
commit
|
commitdiff
|
tree
2017-03-29
Sz
i
lá
r
d
Pá
l
l
R
e
factor CUDA kern
e
l
use of
ta
b
les
commit
|
commitdiff
|
tree
2017-03-29
Szilárd
P
áll
Add CUDA util function fo
r
c
o
n
st
a
nt loa
d
s
commit
|
commitdiff
|
tree
2017-03-25
Szilárd
Páll
Conditio
n
al twea
k
in the nonb
o
nded GPU k
e
rnels
commit
|
commitdiff
|
tree
2017-03-17
Szilárd
P
á
ll
A
l
low
b
ypassing OpenC
L
device c
o
mpatibility
c
heck
commit
|
commitdiff
|
tree
2017-03-16
Szil
á
rd Páll
Print code of unknow
n
OpenCL er
r
or
commit
|
commitdiff
|
tree
2017-03-09
S
z
i
l
árd Páll
Fix
mdrun
h
a
n
g
i
n
g
u
p
on exit
w
ith s
e
p PME ranks
commit
|
commitdiff
|
tree
2017-01-24
Szilárd Pál
l
Remov
e
unused
argument in GPU kernel
s
commit
|
commitdiff
|
tree
2016-12-09
S
zilárd Páll
Turn o
f
f hwloc support when stati
c
lib found
commit
|
commitdiff
|
tree
2016-11-17
Szilárd Páll
Correct kernel launch boun
d
s for CUDA sm
_
60
commit
|
commitdiff
|
tree
2016-11-01
Szilárd
Páll
Merge "Merge bran
c
h release-2016"
commit
|
commitdiff
|
tree
2016-10-28
Szilár
d
Páll
GPU-rela
t
ed addi
t
ions to the install/user guid
e
commit
|
commitdiff
|
tree
2016-10-27
Szilár
d
Páll
Make -cl-fa
s
t-relax
e
d-math default
commit
|
commitdiff
|
tree
2016-10-26
Szil
á
rd Páll
Add GMX
_
DIS
A
BLE_G
P
U_
T
IMING env var
commit
|
commitdiff
|
tree
2016-10-09
Szilárd Páll
Correct kernel launch bounds for CUDA sm_60
commit
|
commitdiff
|
tree
2016-08-27
Szilárd Páll
Make
A
SAN/TSAN/MSAN bu
i
l
d
t
ypes easier
to discov
e
r
commit
|
commitdiff
|
tree
2016-07-08
S
z
ilárd Páll
Add PDF metadata to the manu
a
l
commit
|
commitdiff
|
tree
2016-07-08
Szilárd Pá
l
l
User g
u
ide clar
i
fications
commit
|
commitdiff
|
tree
2016-07-07
Szilárd Páll
Add user
g
uide info on
C
UD
A
a
p
pl
i
c
a
tio
n
clocks
commit
|
commitdiff
|
tree
2016-07-05
Szilárd Páll
Document GMX_GPU
_
APPLICATION_CLOCKS
commit
|
commitdiff
|
tree
2016-07-04
Szilárd Pá
l
l
Disab
l
e N
V
IDIA
JIT cache wi
t
h OpenCL
commit
|
commitdiff
|
tree
2016-06-14
Szilá
r
d P
á
ll
Fix CUDA bui
l
d
w
ith multiple co
m
pilation units
commit
|
commitdiff
|
tree
2016-06-05
Szilárd Páll
Add suppor
t
for
CU
D
A CC 6
.
0
/6
.
1
commit
|
commitdiff
|
tree
2016-06-02
Szilárd Páll
Add env
.
var
.
to ena
b
le
OpenCL caching
commit
|
commitdiff
|
tree
2016-06-02
Szilá
r
d
P
áll
Fix
O
p
e
nCL binary cache file name generation
commit
|
commitdiff
|
tree
2016-05-05
Szilárd Páll
Remo
v
e CUDA host compiler
c
on
s
istenc
y
checks
commit
|
commitdiff
|
tree
2016-04-28
Szilárd
P
áll
Workaro
u
n
d
for gcc false positive warning
commit
|
commitdiff
|
tree
2016-04-27
S
z
ilárd Páll
Fix m
u
ltiple MPI ranks
per node
with Open
C
L
commit
|
commitdiff
|
tree
2016-04-26
Sz
i
l
árd Páll
Fix OpenC
L
assertion
commit
|
commitdiff
|
tree
2016-04-19
Szilárd Páll
Move ou
t
CUD
A
prof
i
ler trigger
s
from
N
BNXN
commit
|
commitdiff
|
tree
2016-04-13
Szil
á
rd Páll
Spelling fixes
commit
|
commitdiff
|
tree
2016-04-13
Szi
l
árd Pá
l
l
Do n
o
t create empty man/ma
n
7 directory
commit
|
commitdiff
|
tree
2016-04-04
S
zilárd P
á
l
l
Mark
m
ore v
a
riable
s
as ad
v
anced
commit
|
commitdiff
|
tree
2016-03-31
Szilárd P
á
ll
refa
c
tor
C
UDA texture-ba
s
e
d
t
able
i
nitializ
a
tion
commit
|
commitdiff
|
tree
2016-03-31
Szilárd Pá
l
l
Fix multip
l
e
t
M
P
I
ranks per OpenCL device
commit
|
commitdiff
|
tree
2016-03-30
Szilárd
P
áll
LJ combination rule kernels for O
p
enCL
commit
|
commitdiff
|
tree
2016-03-30
S
zilárd Páll
Re-en
a
ble i-atom type lo
c
al mem p
r
efetch in OpenCL
commit
|
commitdiff
|
tree
2016-03-30
Szilár
d
Páll
Describe AMD APPSD
K
3
.
0 is
s
ues in th
e
guide
commit
|
commitdiff
|
tree
2016-03-17
Szi
l
árd Páll
Fixed OpenCL
e/fshift c
l
e
ar ker
n
el first invocati
o
n
commit
|
commitdiff
|
tree
2016-02-26
S
zil
á
rd Páll
F
ix le
f
to
v
er lo
a
d()
ca
l
l
s in the simd
util headers
commit
|
commitdiff
|
tree
2016-02-19
Szilárd Pá
l
l
Fix OpenCL table interpolations
of Ewald c
o
rre
c
tion
commit
|
commitdiff
|
tree
2016-02-17
S
zilárd Páll
reintroduce
supercl
interaction ma
s
k consta
n
t
commit
|
commitdiff
|
tree
2016-02-17
Szilárd Páll
change macros
to
cons
t
ants in GP
U
co
d
e
commit
|
commitdiff
|
tree
2016-02-15
Szil
á
rd Pál
l
Allow
G
M
X
_NB_MIN_CI=0 to be passed
commit
|
commitdiff
|
tree
2016-02-11
S
z
il
á
rd
Páll
Re-
e
nable LJ-PME
+
Lore
n
tz-Berthel
o
t
o
n
G
PUs
commit
|
commitdiff
|
tree
2016-02-08
S
z
ilárd Páll
H
a
ndle unifor
m
l
y GMX_OCL_NOG
E
NCACHE
commit
|
commitdiff
|
tree
2016-01-26
Szilárd Páll
GPU code
reorganizatio
n
a
nd
twe
a
k
s
commit
|
commitdiff
|
tree
2016-01-20
Szil
á
rd Páll
Me
r
ge remote-tracking branch 'orig
i
n
/
re
l
ease-5-1' into
.
.
.
commit
|
commitdiff
|
tree
2016-01-09
Szilárd
Páll
sp
l
it NBNXN
C
UDA kernels into
f
our
compilation units
commit
|
commitdiff
|
tree
2015-10-15
Szi
l
árd Páll
Add
CUDA nvcc >=7
.
0 support
commit
|
commitdiff
|
tree
2015-10-15
Szilár
d
Pál
l
C
or
r
e
c
t CUDA versio
n
com
p
aris
o
ns
commit
|
commitdiff
|
tree
2015-05-06
Szilárd Páll
Merge
"Merge releas
e
-4-6 into re
l
e
a
se-5-0" int
o
release-5-0
commit
|
commitdiff
|
tree
2015-04-21
Szil
á
rd Páll
Al
l
ow manually
sett
i
ng target
GPU architectur
e
s
commit
|
commitdiff
|
tree
2015-04-17
Szilárd Páll
defi
n
e CUDA version and texobj
s
upport in config
.
h
commit
|
commitdiff
|
tree
2014-11-29
Szilárd P
á
ll
Ad
d
k
e
r
nel and
c
ompiler su
p
o
r
t fo
r
CC 3
.
7
d
evices
commit
|
commitdiff
|
tree
2014-11-17
S
z
ilárd Páll
Allow increasing CU
D
A thr
e
ad blo
c
k size
commit
|
commitdiff
|
tree
2014-11-17
S
zilárd Páll
Ad
d
CUDA
comp
i
ler support for
C
C
5
.
0
commit
|
commitdiff
|
tree
2014-11-14
S
zilárd Páll
Start nvprof pro
f
iling at counter reset
commit
|
commitdiff
|
tree
2014-09-26
Szilárd Páll
Fix
i
n
cor
r
ect asserti
o
n statement
commit
|
commitdiff
|
tree
2014-09-09
Szilárd Pál
l
F
i
x
malformed C
U
DA versi
o
n macro
ch
e
ck
commit
|
commitdiff
|
tree
2014-06-01
Szilárd Páll
Add quot
e
on the kT
-
kj/mol
conversion fact
o
r
commit
|
commitdiff
|
tree
2014-03-11
Szi
l
árd Páll
Bum
p
r
equired CUDA
v
ersio
n
to 4
.
0
commit
|
commitdiff
|
tree
2014-01-28
S
zilárd P
á
l
l
cl
a
rified
O
p
enM
P
-related
thing
s
in mdr
u
n hel
p
/man
commit
|
commitdiff
|
tree
2013-11-19
S
z
i
l
á
r
d Páll
Fix D
D
load
balancing bug wi
t
h
G
P
U sharing
commit
|
commitdiff
|
tree
2013-05-30
Szil
á
r
d
P
á
l
l
fix unnecess
a
r
y switch to polling GPU wait
commit
|
commitdiff
|
tree
2013-02-10
S
z
ilá
r
d
Páll
use leg
a
cy CUDA non-bonded kernels only on Fermi
commit
|
commitdiff
|
tree
2013-01-18
Szilá
r
d Páll
fix
OpenMP d
e
tect
i
on on Mac OS broken by a6fe
e
0b
commit
|
commitdiff
|
tree
2013-01-17
Szilár
d
P
á
ll
added missing cleanup o
f
som
e
n
b
nxn_cuda data
commit
|
commitdiff
|
tree
2013-01-17
S
z
il
á
rd Páll
M
e
rg
e
chan
g
es I930
b
3
1
6
c,Iea4283e0,I1036
4
8
f
8 into release
-
4-6
commit
|
commitdiff
|
tree
2013-01-17
Szilárd Páll
u
s
e the c
o
mpil
e
r
v
er
s
io
n
p
r
ovided by CMake >=
2
.
8
.
9
commit
|
commitdiff
|
tree
2013-01-17
Szilárd Páll
note the reason for
auto-
d
is
a
bl
i
ng GPU support in C
M
ake
commit
|
commitdiff
|
tree
2013-01-17
Szil
á
rd
Páll
c
larif
y
wo
r
ding of GPU d
r
iver-r
e
l
ated notes
commit
|
commitdiff
|
tree
2013-01-15
Szilárd Páll
disab
l
e OpenMP
w
i
t
h all O
S
X
gcc 4
.
2-based co
m
pilers
commit
|
commitdiff
|
tree
2012-12-19
Szilárd Páll
Merge
"
A
v
oid us
i
ng u
n
d
e
fined CMake variables
"
into
.
.
.
commit
|
commitdiff
|
tree
2012-12-19
S
zilárd Páll
Merge "R
e
m
o
ved
o
rphan file"
i
nto
r
el
e
ase-4-6
commit
|
commitdiff
|
tree
2012-12-17
S
zilárd Páll
Merge
"reduced P
L
INCS
c
ommunicatio
n
with H-bond const
r
aints
.
.
.
commit
|
commitdiff
|
tree
2012-11-28
Szilárd Páll
Merge changes I9b865c4c,Ib
7
0929
0
e
i
n
to release
-
4-6
commit
|
commitdiff
|
tree
2012-11-23
Szilárd Páll
Me
r
ge "Upda
t
e
s
t
o
CM
a
ke tr
e
atment
of Op
e
nMP
"
i
n
to release-4-6
commit
|
commitdiff
|
tree
2012-10-25
Szilárd Pá
l
l
fix
f
a
lse positiv
e
gcc
4
.
7
warning in lib
x
drf
commit
|
commitdiff
|
tree
2012-10-24
Szilárd Páll
enable
GMX_PREFE
R
_STATIC_LIBS CMake option
on Mac
O
S X
commit
|
commitdiff
|
tree
2012-07-03
Szilárd Páll
Merge "Minor
formatting and
c
onsistency changes to
.
.
.
commit
|
commitdiff
|
tree
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