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Conditional tweak in the nonbonded GPU kernels
2017-03-25
Szilárd
P
áll
Conditional tw
e
ak in the non
b
onded
G
PU k
e
rnels
commit
|
commitdiff
|
tree
2017-03-17
Szilárd P
á
l
l
Allow bypassing OpenCL device compatibility
c
he
c
k
commit
|
commitdiff
|
tree
2017-03-16
Szilárd Páll
Prin
t
code of unk
n
o
wn OpenCL error
commit
|
commitdiff
|
tree
2017-03-09
Szilárd Páll
Fix mdrun h
a
ng
i
n
g
upon exit wit
h
sep PM
E
ranks
commit
|
commitdiff
|
tree
2017-01-24
S
z
ilárd P
á
ll
Re
m
ov
e
u
n
used argument in GPU kernels
commit
|
commitdiff
|
tree
2016-12-09
Szilá
r
d Pá
l
l
T
ur
n
off hwloc support
w
hen stat
i
c lib found
commit
|
commitdiff
|
tree
2016-11-17
Szilárd Páll
C
orrect kern
e
l
l
aun
c
h bounds
for CUDA sm_60
commit
|
commitdiff
|
tree
2016-11-01
S
zilárd Pál
l
M
e
rge "Me
r
ge branch re
l
ease-20
1
6"
commit
|
commitdiff
|
tree
2016-10-28
Szilárd P
á
l
l
GPU-related additions to the inst
a
ll/user guide
commit
|
commitdiff
|
tree
2016-10-27
Szilárd
Páll
Make -cl-fast
-
r
e
laxe
d
-math defaul
t
commit
|
commitdiff
|
tree
2016-10-26
Szilárd Pá
l
l
Add
GMX_DIS
A
BLE_G
P
U_TIMI
N
G
e
n
v v
a
r
commit
|
commitdiff
|
tree
2016-10-09
Szilárd Páll
Correct k
e
rnel
l
aunch
b
ounds fo
r
CUDA
sm_60
commit
|
commitdiff
|
tree
2016-08-27
Szilárd Páll
Make
A
SAN
/
TS
A
N/MSA
N
build
t
ypes e
a
sier to disco
v
er
commit
|
commitdiff
|
tree
2016-07-08
Szilárd Páll
Add PDF met
a
dat
a
to the m
a
nua
l
commit
|
commitdiff
|
tree
2016-07-08
Szilárd Páll
Use
r
guide clarificat
i
ons
commit
|
commitdiff
|
tree
2016-07-07
Szilárd Páll
Add u
s
er guide
info o
n
CUD
A
applicati
o
n cl
o
cks
commit
|
commitdiff
|
tree
2016-07-05
Sz
i
lá
r
d Pá
l
l
Document
G
M
X_GPU_APPLICATION_C
L
OCKS
commit
|
commitdiff
|
tree
2016-07-04
Szilárd Páll
Disable NVIDIA
JIT cache
with Op
e
nCL
commit
|
commitdiff
|
tree
2016-06-14
Szilárd Páll
Fix CUDA
b
u
ild with mult
i
ple compilatio
n
u
n
i
t
s
commit
|
commitdiff
|
tree
2016-06-05
Szilárd Páll
A
d
d support for CUDA CC 6
.
0/6
.
1
commit
|
commitdiff
|
tree
2016-06-02
Szilá
r
d
Pál
l
Add env
.
var
.
t
o
e
nab
l
e OpenCL ca
c
hing
commit
|
commitdiff
|
tree
2016-06-02
Szilárd Páll
Fix OpenCL binary cac
h
e fi
l
e name generat
i
o
n
commit
|
commitdiff
|
tree
2016-05-05
S
z
i
lárd Pá
l
l
Remove CUDA h
o
st co
m
piler consistency
c
hecks
commit
|
commitdiff
|
tree
2016-04-28
Szilárd Páll
Workaro
u
nd for
gcc false positive warni
n
g
commit
|
commitdiff
|
tree
2016-04-27
Szilárd Páll
Fix mult
i
ple M
P
I ranks
p
er node w
i
t
h OpenCL
commit
|
commitdiff
|
tree
2016-04-26
Szi
l
árd Páll
Fix OpenCL
a
ssertion
commit
|
commitdiff
|
tree
2016-04-19
Szi
l
á
rd Páll
Move o
u
t CUDA p
r
of
i
ler
trigger
s
fro
m
NBNXN
commit
|
commitdiff
|
tree
2016-04-13
S
zilárd Páll
S
p
ellin
g
fixe
s
commit
|
commitdiff
|
tree
2016-04-13
Szilárd P
á
ll
Do no
t
create empty man/man7
d
ir
e
ctory
commit
|
commitdiff
|
tree
2016-04-04
Szil
á
rd Páll
Mark
m
ore varia
b
les as ad
v
anced
commit
|
commitdiff
|
tree
2016-03-31
Szilárd
P
áll
ref
a
ctor
CU
D
A
t
exture-
b
ased table initialization
commit
|
commitdiff
|
tree
2016-03-31
Szilá
r
d Pá
l
l
Fix mu
l
t
iple tMPI
r
ank
s
pe
r
OpenCL device
commit
|
commitdiff
|
tree
2016-03-30
S
z
ilárd Páll
LJ
c
ombina
t
i
o
n rule kernels for Ope
n
CL
commit
|
commitdiff
|
tree
2016-03-30
Szilárd
P
áll
Re-en
a
bl
e
i-
a
tom type l
o
cal mem prefetch
i
n OpenCL
commit
|
commitdiff
|
tree
2016-03-30
S
z
ilárd Pá
l
l
Describe
AMD APPSDK 3
.
0
i
ssu
e
s
in
t
h
e
g
uide
commit
|
commitdiff
|
tree
2016-03-17
S
zil
á
rd Páll
Fixed OpenCL e/fshift clear
k
ern
e
l fir
s
t invocati
o
n
commit
|
commitdiff
|
tree
2016-02-26
Szilárd Pál
l
Fix
l
efto
v
er load(
)
cal
l
s in the simd util
h
eaders
commit
|
commitdiff
|
tree
2016-02-19
Szilárd Páll
F
ix OpenCL tab
l
e
i
nterpolations of Ewald correction
commit
|
commitdiff
|
tree
2016-02-17
Szilárd Pá
l
l
reintroduce s
u
percl
i
nter
a
ction mask constant
commit
|
commitdiff
|
tree
2016-02-17
Szilárd Páll
chan
g
e macros
to constants
i
n
GPU
c
ode
commit
|
commitdiff
|
tree
2016-02-15
S
z
ilár
d
Páll
Allo
w
GM
X
_NB
_
M
IN_CI=0 to b
e
p
a
ssed
commit
|
commitdiff
|
tree
2016-02-11
S
zilárd Páll
Re-enable LJ-PM
E
+
Lore
n
tz-Berthelot on GPUs
commit
|
commitdiff
|
tree
2016-02-08
Szilárd
P
áll
Handl
e
u
n
iform
l
y GMX_OCL_NOGENCACHE
commit
|
commitdiff
|
tree
2016-01-26
Szi
l
árd Páll
GPU
c
o
de reorganizat
i
on an
d
tw
e
aks
commit
|
commitdiff
|
tree
2016-01-20
Szilá
r
d Páll
Merge remote-tracking branch 'origin/release-5-1' into
.
.
.
commit
|
commitdiff
|
tree
2016-01-09
S
zilár
d
Páll
split NBNXN CUD
A
kernels into f
o
ur comp
i
lati
o
n
u
nits
commit
|
commitdiff
|
tree
2015-10-15
Szilárd Páll
Ad
d
CUDA nvcc >
=
7
.
0 s
u
pport
commit
|
commitdiff
|
tree
2015-10-15
Szilárd Páll
Co
r
r
ect CUDA version comp
a
riso
n
s
commit
|
commitdiff
|
tree
2015-05-06
Szilár
d
Pál
l
Merge "Merge rele
a
se-4-6 into release-5
-
0" into
r
e
lease-5-0
commit
|
commitdiff
|
tree
2015-04-21
Szi
l
árd Páll
Allow manually s
e
tting targe
t
GPU architectu
r
es
commit
|
commitdiff
|
tree
2015-04-17
Szilárd P
á
ll
d
e
f
ine CUDA v
e
rs
i
on
an
d
texo
b
j
su
p
port in conf
i
g
.
h
commit
|
commitdiff
|
tree
2014-11-29
Szilá
r
d
P
áll
Add kernel
a
n
d compiler suport for CC 3
.
7 devices
commit
|
commitdiff
|
tree
2014-11-17
S
z
i
lárd
Páll
Allow increasing CUDA thread bloc
k
size
commit
|
commitdiff
|
tree
2014-11-17
Szilárd Páll
Add CUD
A
compiler
s
upport for CC 5
.
0
commit
|
commitdiff
|
tree
2014-11-14
S
zilárd Páll
Star
t
nvprof profili
n
g at
c
ounter reset
commit
|
commitdiff
|
tree
2014-09-26
Szilárd Páll
Fix incorrect assertion statement
commit
|
commitdiff
|
tree
2014-09-09
Szilárd Páll
Fix malformed
CUDA version macro
c
heck
commit
|
commitdiff
|
tree
2014-06-01
S
zi
l
árd P
á
ll
Add
quote
o
n the kT-kj/mol conversion
fa
c
to
r
commit
|
commitdiff
|
tree
2014-03-11
Szilárd Páll
Bump r
e
quired
CUD
A
version to 4
.
0
commit
|
commitdiff
|
tree
2014-01-28
Szilárd Páll
cl
a
rif
i
ed OpenMP-r
e
l
a
ted things in
m
dru
n
help/man
commit
|
commitdiff
|
tree
2013-11-19
Szilárd Pá
l
l
F
ix
DD load balancing
b
ug wit
h
GPU
s
h
a
ring
commit
|
commitdiff
|
tree
2013-05-30
Szil
á
r
d
Páll
fix unne
c
essary switc
h
to
polling
G
PU wait
commit
|
commitdiff
|
tree
2013-02-10
Szilá
r
d Pá
l
l
use le
g
ac
y
CU
D
A non
-
b
onded kernels only on Fe
r
mi
commit
|
commitdiff
|
tree
2013-01-18
Szilár
d
Páll
fix OpenMP
d
etectio
n
on
M
ac O
S
broken by
a
6fee0b
commit
|
commitdiff
|
tree
2013-01-17
Szil
á
rd
Páll
added missin
g
cleanup of
some n
b
nxn
_
cuda data
commit
|
commitdiff
|
tree
2013-01-17
Sz
i
lá
r
d P
á
ll
Me
r
ge changes I93
0
b
3
1
6c,
I
ea4
2
8
3e0,I1
0
3
64
8
f
8
into r
e
lea
s
e
-
4-
6
commit
|
commitdiff
|
tree
2013-01-17
Szilárd Pá
l
l
use the compiler version provided by CMake >
=
2
.
8
.
9
commit
|
commitdiff
|
tree
2013-01-17
Szilárd Páll
note the reason for auto-d
i
sabling GPU s
u
pport
i
n CMake
commit
|
commitdiff
|
tree
2013-01-17
Szilárd Páll
clar
i
f
y wordi
n
g of GPU
driver-related notes
commit
|
commitdiff
|
tree
2013-01-15
Szilárd
P
áll
d
i
sable
OpenMP wi
t
h
a
ll OS X gcc 4
.
2-based com
p
i
lers
commit
|
commitdiff
|
tree
2012-12-19
Szilárd Páll
Merge "A
v
oid
u
sing undefined CMak
e
variables" into
.
.
.
commit
|
commitdiff
|
tree
2012-12-19
S
zilárd P
á
ll
Merge "Removed
orp
h
an file
"
into
r
e
lease-4-6
commit
|
commitdiff
|
tree
2012-12-17
Sz
i
lárd
P
áll
Merge "r
e
d
uced PL
I
N
C
S
communicati
o
n wit
h
H
-
bond constraints
.
.
.
commit
|
commitdiff
|
tree
2012-11-28
Szilárd Páll
M
erge changes I9b865
c
4c,Ib70929
0
e into release-4-6
commit
|
commitdiff
|
tree
2012-11-23
Szil
á
rd Páll
M
e
rge "Up
d
ates
to CMake treatment of Open
M
P"
into rele
a
se-4-6
commit
|
commitdiff
|
tree
2012-10-25
Szilárd Páll
fix false pos
i
ti
v
e gc
c
4
.
7 wa
r
nin
g
in
l
ibxdrf
commit
|
commitdiff
|
tree
2012-10-24
Szilá
r
d Páll
e
nable GMX_
P
REFER_STATIC_LIBS CMake
option on Mac OS
X
commit
|
commitdiff
|
tree
2012-07-03
S
zil
á
rd Páll
Merge "Minor form
a
tting and c
o
nsistency chan
g
e
s
t
o
.
.
.
commit
|
commitdiff
|
tree
2012-05-25
Szilárd Páll
Merge "
F
ix Clang 3
.
1
compile error"
commit
|
commitdiff
|
tree
2012-04-26
Szilárd P
á
ll
Merg
e
"
f
ixed i
n
itial COM mo
t
ion
re
m
o
val with mult
i
ple
.
.
.
commit
|
commitdiff
|
tree
2012-02-11
S
zilá
r
d
Páll
Merge changes
I
f0c
2
f9d9,Ic2a
8
ad82 into r
e
lease-4
-
5
.
.
.
commit
|
commitdiff
|
tree
2012-02-02
Szi
l
á
r
d Páll
Merge "Append all
ICC Performance flags onl
y
to Release
.
.
.
commit
|
commitdiff
|
tree
2012-02-02
Szil
á
rd Pál
l
M
e
rge "Merg
e
s in threa
d
ing branch as one s
q
uashed com
m
i
t
.
.
.
commit
|
commitdiff
|
tree
2011-10-06
Szilárd Páll
Mer
g
e "Removed
duplicate CMake functionality
"
into
.
.
.
commit
|
commitdiff
|
tree