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Tweak PME run mode checks
2018-04-21
Sz
i
lárd Pá
l
l
T
w
eak
PME
run mode check
s
commit
|
commitdiff
|
tree
2018-04-20
Szil
á
rd Pá
l
l
Minor fix
f
or pre-submi
t
matri
x
doc
s
commit
|
commitdiff
|
tree
2018-04-19
Szilárd Páll
Move the PME GPU clearing to
the end of the step
commit
|
commitdiff
|
tree
2018-04-16
Szilárd Páll
Add post-submit
test
w
ith hwloc off
commit
|
commitdiff
|
tree
2018-04-13
S
zilárd Páll
U
s
e trivalue option for GM
X
_H
W
L
O
C
commit
|
commitdiff
|
tree
2018-04-05
Szilárd Páll
Refactor c
j
prel
o
ad in t
h
e nonbond
e
d OpenC
L
kernels
commit
|
commitdiff
|
tree
2018-03-29
Szilá
r
d
P
áll
Tweak/en
a
ble icc 1
8
po
s
t-submit
test
s
commit
|
commitdiff
|
tree
2018-03-29
Sz
i
l
á
r
d Páll
Switc
h
CUDA
9
.
0
/
g
cc 5
t
e
st to
CUDA 9
.
1/gcc 6
commit
|
commitdiff
|
tree
2018-03-13
Szilárd Páll
R
equire OpenCL 1
.
2
commit
|
commitdiff
|
tree
2018-03-13
Szi
l
árd
Pá
l
l
Fix clang 6
.
0 with CUD
A
9
.
0
commit
|
commitdiff
|
tree
2018-03-12
Szilárd Páll
Avoid ic
c
-specific -march=core-avx
2
flag with gcc/cl
a
n
g
commit
|
commitdiff
|
tree
2018-03-06
Szilár
d
P
áll
Ext
e
nd "
F
ind
i
ng
ou
t
how to run mdrun bet
t
er"
s
ection
commit
|
commitdiff
|
tree
2018-03-05
Szilárd
Páll
A
d
d to the c
o
n
t
ributor sec
t
ion
commit
|
commitdiff
|
tree
2018-02-21
S
zilárd Páll
Swit
c
h p
r
e
-
su
b
mit CUDA 8
.
0
t
est to
9
.
0
commit
|
commitdiff
|
tree
2018-02-20
S
zilárd Páll
Avoid aborting m
d
ru
n
when GPU sani
t
y check dete
c
t
s
.
.
.
commit
|
commitdiff
|
tree
2018-02-14
Szilárd Páll
Remove barriers preventi
n
g tex
t
ure
r
eference
ra
c
es
commit
|
commitdiff
|
tree
2018-02-12
Szilárd Páll
Remov
e
single/multi comp
i
l
ation uni
t
switc
h
ing logic
commit
|
commitdiff
|
tree
2018-02-12
Szilá
r
d Páll
Remove
te
x
ture reference su
p
port in th
e
CUDA
commit
|
commitdiff
|
tree
2018-01-12
Szilárd Pá
l
l
Call GP
U
profiler rese
t
on separat
e
PME rank
s
commit
|
commitdiff
|
tree
2018-01-10
S
zilárd
P
áll
U
s
e
r
guide
upd
a
tes to GPU
s
ection
commit
|
commitdiff
|
tree
2018-01-10
Szilárd Páll
Release
notes tweaks
commit
|
commitdiff
|
tree
2018-01-10
Szilárd Pá
l
l
Install guide
updates
commit
|
commitdiff
|
tree
2018-01-10
S
zilárd Páll
Env
i
ronment variable doc
s
mainte
n
a
n
ce
commit
|
commitdiff
|
tree
2017-12-10
Szilárd Páll
D
i
s
able d
e
fault-on N
V
ML suppor
t
in CMak
e
commit
|
commitdiff
|
tree
2017-12-06
Szilárd Páll
Implement
al
t
ernati
n
g
G
PU wa
i
t
commit
|
commitdiff
|
tree
2017-11-28
Sz
i
lárd Páll
Sepa
r
a
te lo
c
al
GPU NB wait from emulati
o
n launch
commit
|
commitdiff
|
tree
2017-11-28
Szilárd Páll
R
e
factor GPU rolling
p
rune la
u
nch
commit
|
commitdiff
|
tree
2017-11-27
Szilárd Pá
l
l
Time FFT/
g
ather i
n
mixed mod
e
commit
|
commitdiff
|
tree
2017-11-24
Szilárd
P
áll
Add G
P
U
sharing
p
ost
-
s
u
b
m
i
t con
f
ig
commit
|
commitdiff
|
tree
2017-11-23
Szilárd
P
á
ll
Move
GPU FF
T
/
g
a
ther la
u
nch a
f
ter GPU nonbondeds
commit
|
commitdiff
|
tree
2017-11-07
Szi
l
árd Páll
Use -mavx2 -mfma instead
of -ma
r
c
h with AVX
2
commit
|
commitdiff
|
tree
2017-11-07
Szilárd
Páll
Me
r
ge common
n
bnxn CUDA/OpenCL GPU
w
ait code
-
paths
commit
|
commitdiff
|
tree
2017-11-07
Szilárd
P
áll
Add wall
c
y
cle timer for the PME
GPU F r
e
duction
commit
|
commitdiff
|
tree
2017-11-07
Szi
l
á
r
d Páll
Split
o
ff n
b
nxn GPU t
i
ming and s
t
a
g
i
ng
r
eduction
commit
|
commitdiff
|
tree
2017-11-07
Szilárd Páll
Dedu
p
licat
e
CUD
A
and OpenCL
t
ime
r
st
r
uct
commit
|
commitdiff
|
tree
2017-10-31
Szilárd Páll
Fix nst
l
ist increase
warning print
commit
|
commitdiff
|
tree
2017-10-31
Szilárd Páll
Chec
k
CUDA a
v
ailable/compiled c
o
de compatibil
i
ty
commit
|
commitdiff
|
tree
2017-10-31
Szilárd Páll
Fix nstlist
i
ncr
e
ase war
n
i
n
g pr
i
nt
commit
|
commitdiff
|
tree
2017-10-26
Szilárd
P
áll
Re
o
rgan
i
z
e PM
E
GPU
launch
commit
|
commitdiff
|
tree
2017-10-23
Szi
l
árd
P
áll
Eliminate
s
ome OCL/CUDA code
c
ode duplication
commit
|
commitdiff
|
tree
2017-10-19
Szilár
d
Páll
Dis
a
ble OpenMP with
clang 3
.
4 p
o
st
-
submit config
commit
|
commitdiff
|
tree
2017-10-19
S
zilárd Páll
Remove
u
nis
e
d O
p
e
n
C
L
de
b
uggi
n
g
help
e
rs
commit
|
commitdiff
|
tree
2017-10-12
Szilárd Páll
R
e
move t
h
e size_t fro
m
the
P
M
E
gather CUDA kenels
commit
|
commitdiff
|
tree
2017-10-05
S
z
i
lá
r
d Páll
Refac
t
or scaled box hand
l
in
g
f
o
r PME/Ewald
commit
|
commitdiff
|
tree
2017-10-05
Szilárd Páll
Fix
p
a
ir list a
r
ray
a
sserti
o
n
commit
|
commitdiff
|
tree
2017-10-05
Szilárd P
á
ll
Avoid -Wmis
s
ing-
p
rot
o
t
yp
e
s warnings in cla
n
g CUDA builds
commit
|
commitdiff
|
tree
2017-10-03
Szi
l
árd Pál
l
Move Ewald
spli
t
ting-related code
to ewa
l
d-utils
commit
|
commitdiff
|
tree
2017-10-03
Szilárd Páll
En
a
ble
compiling
CUDA device
code
w
ith
c
lang
commit
|
commitdiff
|
tree
2017-09-28
Szilárd Páll
Correct misplaced CUDA t
i
ming
e
vent record
commit
|
commitdiff
|
tree
2017-09-26
Szilárd Páll
Rename
G
P
U
laun
c
h/wai
t
cycl
e
co
u
nters
commit
|
commitdiff
|
tree
2017-09-18
S
zilárd
P
á
l
l
Mi
n
or
refactoring of CUDA non
-
bonded k
e
rnel
s
commit
|
commitdiff
|
tree
2017-09-14
Szi
l
árd Páll
C
UDA 9/Volta s
u
p
p
or
t
for
t
h
e pr
u
ning
ker
n
e
l
commit
|
commitdiff
|
tree
2017-09-12
Szilárd Páll
Merge
b
ranch 'rel
e
ase-2016'
commit
|
commitdiff
|
tree
2017-09-11
Szi
l
árd Páll
NVIDIA
V
o
lta performance t
w
eaks
commit
|
commitdiff
|
tree
2017-08-29
S
zilár
d
Páll
F
i
x typo
a
nd
t
wea
k
env var docs
commit
|
commitdiff
|
tree
2017-08-29
Szilárd Páll
Avoid
d
ivision
b
y zero is pruning part calcu
l
ation
commit
|
commitdiff
|
tree
2017-08-21
Szilárd Pál
l
A
d
d OpenCL pruning kerne
l
s a
n
d launch/ti
m
ing
l
ogic
commit
|
commitdiff
|
tree
2017-08-18
Sz
i
lárd P
á
l
l
Improve awkwar
d
h
andling of GMX_CUDA_T
A
R
GE
T
* help
commit
|
commitdiff
|
tree
2017-08-18
S
zilár
d
P
ál
l
Add CUDA pruning kernels an
d
launch/timing logic
commit
|
commitdiff
|
tree
2017-07-27
Szilá
r
d
Páll
Inf
o
rm users about the end of run D
L
B state
commit
|
commitdiff
|
tree
2017-06-26
Szilá
r
d
Páll
Add A
R
M
_NEON_ASIMD post-submit test
commit
|
commitdiff
|
tree
2017-06-21
Szilárd Páll
Re-enable lo
s
t DD warning + minor
code modernizatio
n
commit
|
commitdiff
|
tree
2017-06-20
Szilárd Páll
Re-enable
a
cc
i
d
entally lost
DD war
n
ing
commit
|
commitdiff
|
tree
2017-06-20
Sz
i
lárd Páll
Refactoring + clari
f
ication of DLB
s
tate handling
commit
|
commitdiff
|
tree
2017-06-15
Szilárd Páll
All
o
w disabling the explicit u
s
e
o
f CUDA
t
extures
commit
|
commitdiff
|
tree
2017-06-07
Szil
á
rd Páll
S
u
p
press sm_2x deprecation war
n
ing
wit
h
C
U
D
A 8
.
0
commit
|
commitdiff
|
tree
2017-06-05
Szil
á
r
d Páll
Add C
U
DA 8
.
0
+
SIMD pre-
s
ubmit te
s
t
commit
|
commitdiff
|
tree
2017-06-02
Szilárd Páll
Add
A
RM_NEON post-submit
test
commit
|
commitdiff
|
tree
2017-05-29
Szilárd
Pál
l
Quotes are cool, ty
p
o-free o
n
es are even "cooler"
commit
|
commitdiff
|
tree
2017-05-23
S
z
ilárd
Páll
Add
b
asic doxygen for
t
he Verlet nonbond
e
d module
commit
|
commitdiff
|
tree
2017-03-29
Szilárd
Páll
Refactor CUDA ker
n
el use
of tables
commit
|
commitdiff
|
tree
2017-03-29
Szilárd Páll
Add CUDA util functi
o
n fo
r
co
n
stant loads
commit
|
commitdiff
|
tree
2017-03-25
S
z
ilárd Páll
Condi
t
ion
a
l
t
w
e
a
k
in the nonbon
d
ed GPU kernels
commit
|
commitdiff
|
tree
2017-03-17
Szilárd Páll
Allow
b
y
passing Ope
n
CL device compatibility check
commit
|
commitdiff
|
tree
2017-03-16
Szilárd Páll
Pri
n
t code of
u
nkno
w
n
O
penCL error
commit
|
commitdiff
|
tree
2017-03-09
Szilárd Páll
Fix
mdrun hanging upon exit with sep PM
E
ra
n
k
s
commit
|
commitdiff
|
tree
2017-01-24
Szilárd Páll
R
emove u
n
us
e
d
argumen
t
in GPU
kerne
l
s
commit
|
commitdiff
|
tree
2016-12-09
S
z
ilá
r
d Pá
l
l
Turn off hwloc
support
when
static lib fou
n
d
commit
|
commitdiff
|
tree
2016-11-17
Szilá
r
d Páll
Corre
c
t kernel launch bounds for
C
U
D
A sm_6
0
commit
|
commitdiff
|
tree
2016-11-01
Szilárd
P
áll
Merge "Me
r
ge branch
release-2016"
commit
|
commitdiff
|
tree
2016-10-28
Szilárd Páll
GPU-related
additio
n
s to the
i
n
stall/us
e
r g
u
ide
commit
|
commitdiff
|
tree
2016-10-27
Szilárd Páll
Mak
e
-cl-fast
-
re
l
ax
e
d-mat
h
default
commit
|
commitdiff
|
tree
2016-10-26
Szi
l
árd Páll
Add GMX_DI
S
ABLE_GP
U
_TIMING env var
commit
|
commitdiff
|
tree
2016-10-09
Szilárd Páll
Correct kerne
l
launch bounds for CUDA sm_60
commit
|
commitdiff
|
tree
2016-08-27
Szilárd P
á
ll
M
ake ASAN/TSAN/MSAN
b
uild ty
p
es e
a
sier to
d
iscove
r
commit
|
commitdiff
|
tree
2016-07-08
S
zilár
d
Páll
A
d
d PDF meta
d
ata to the manual
commit
|
commitdiff
|
tree
2016-07-08
Szilárd
Páll
Use
r
guide clarifica
t
ions
commit
|
commitdiff
|
tree
2016-07-07
Szilárd Páll
Add user
gui
d
e info on C
U
DA a
p
pl
i
cation
c
locks
commit
|
commitdiff
|
tree
2016-07-05
Szilárd Páll
Docum
e
nt GMX_GPU_
A
PPLICA
T
ION_CLOCKS
commit
|
commitdiff
|
tree
2016-07-04
Szilárd Pá
l
l
D
i
sable NVIDIA JIT cache with Open
C
L
commit
|
commitdiff
|
tree
2016-06-14
Sz
i
lár
d
Páll
Fix CUDA
b
u
ild
with mu
l
tiple comp
i
lation u
n
its
commit
|
commitdiff
|
tree
2016-06-05
Szilárd
P
áll
Add support for CU
D
A CC 6
.
0
/
6
.
1
commit
|
commitdiff
|
tree
2016-06-02
S
z
i
lárd Páll
Add env
.
var
.
t
o
enable
O
pe
n
CL cac
h
ing
commit
|
commitdiff
|
tree
2016-06-02
Szilárd Páll
Fix O
p
enCL binary cache f
i
le name generatio
n
commit
|
commitdiff
|
tree
2016-05-05
Szilárd Páll
Rem
o
ve CU
D
A hos
t
compiler consistency checks
commit
|
commitdiff
|
tree
2016-04-28
Szilárd Páll
W
o
rkaround f
o
r
gcc fals
e
p
ositive warning
commit
|
commitdiff
|
tree
2016-04-27
S
zilárd Páll
Fix multiple MPI
ranks
p
er node with
OpenCL
commit
|
commitdiff
|
tree
2016-04-26
Szilárd Páll
Fix
OpenCL asserti
o
n
commit
|
commitdiff
|
tree
2016-04-19
S
z
ilárd
P
áll
Move
o
ut CUDA profile
r
trigg
e
rs f
r
o
m NBNXN
commit
|
commitdiff
|
tree
2016-04-13
Szilárd
Páll
Spelling fixes
commit
|
commitdiff
|
tree
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