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Added the bundled clFFT into OpenCL builds
2018-05-29
Szilárd Páll
Switch to CUDA 9
.
2
+ gc
c
7
commit
|
commitdiff
|
tree
2018-04-26
Szilárd Páll
B
u
mp require
d
CUDA version to 7
.
0
commit
|
commitdiff
|
tree
2018-04-23
Szi
l
á
r
d Páll
Fix icc warning
in post-sub
m
it
commit
|
commitdiff
|
tree
2018-04-21
Szilárd
Páll
A
dd p
o
st-submit with
A
RM HPC
Toolchain
commit
|
commitdiff
|
tree
2018-04-21
Szilárd Pál
l
Tweak PME run mode checks
commit
|
commitdiff
|
tree
2018-04-20
S
z
ilárd Páll
Mino
r
f
ix for pre-s
u
bmit matrix docs
commit
|
commitdiff
|
tree
2018-04-19
S
zilá
r
d P
á
l
l
Move the PME GPU clearing to the
en
d
o
f
the step
commit
|
commitdiff
|
tree
2018-04-16
Szilárd Páll
Add
p
ost-s
u
bmit test with hwloc off
commit
|
commitdiff
|
tree
2018-04-13
Sz
i
lá
r
d Páll
Use trivalue opt
i
on for GMX_HWLOC
commit
|
commitdiff
|
tree
2018-04-05
S
z
i
l
á
rd
Páll
Refactor
cj p
r
eload
in the nonbonded OpenCL kern
e
ls
commit
|
commitdiff
|
tree
2018-03-29
S
z
ilárd Páll
Tweak
/
enable icc 18
po
s
t-submit tests
commit
|
commitdiff
|
tree
2018-03-29
Szilár
d
Páll
Switch CUDA 9
.
0/gcc 5 te
s
t
to CU
D
A 9
.
1/gcc 6
commit
|
commitdiff
|
tree
2018-03-13
Szi
l
ár
d
Pá
l
l
Requir
e
Op
e
nCL 1
.
2
commit
|
commitdiff
|
tree
2018-03-13
Szilárd Páll
F
ix clang 6
.
0 wi
t
h CUDA 9
.
0
commit
|
commitdiff
|
tree
2018-03-12
Szilárd
P
á
ll
Avoid
icc-sp
e
cifi
c
-march=co
r
e-
a
vx2 flag with gcc/clan
g
commit
|
commitdiff
|
tree
2018-03-06
Szi
l
árd
Páll
Exte
n
d "Finding out how
t
o
r
u
n
mdrun b
e
tter" section
commit
|
commitdiff
|
tree
2018-03-05
Szilárd Páll
Add to
the contr
i
butor sec
t
ion
commit
|
commitdiff
|
tree
2018-02-21
Szilárd Páll
Switch pr
e
-subm
i
t CUD
A
8
.
0 t
e
st
t
o 9
.
0
commit
|
commitdiff
|
tree
2018-02-20
S
z
ilárd Páll
A
void aborting mdrun when GPU
s
anity ch
e
ck de
t
ects
.
.
.
commit
|
commitdiff
|
tree
2018-02-14
Szilárd Páll
Remo
v
e barriers p
r
e
ve
n
ting texture reference
races
commit
|
commitdiff
|
tree
2018-02-12
Szi
l
árd Pál
l
Remove single
/
mu
l
ti c
o
mpilation un
i
t switching lo
g
ic
commit
|
commitdiff
|
tree
2018-02-12
Szilárd Páll
Remo
v
e texture refe
r
ence support in the CUDA
commit
|
commitdiff
|
tree
2018-01-12
Szilárd Páll
Call GPU p
r
o
f
i
l
er reset on separate PME ranks
commit
|
commitdiff
|
tree
2018-01-10
Szi
l
árd Páll
User guide up
d
a
t
es to GPU section
commit
|
commitdiff
|
tree
2018-01-10
Szilárd Páll
Release n
o
tes t
w
eaks
commit
|
commitdiff
|
tree
2018-01-10
Szilárd Páll
Ins
t
all gu
i
de up
d
ates
commit
|
commitdiff
|
tree
2018-01-10
Szilá
r
d Páll
Environ
m
ent variable d
o
cs maintenance
commit
|
commitdiff
|
tree
2017-12-10
S
zi
l
árd Páll
Di
s
able
d
efault-on NVML sup
p
ort in CMake
commit
|
commitdiff
|
tree
2017-12-06
Szilárd Páll
Implem
e
nt alternat
i
ng G
P
U wait
commit
|
commitdiff
|
tree
2017-11-28
S
z
i
lárd Páll
Separate l
o
cal G
P
U
N
B
wai
t
from emulation launc
h
commit
|
commitdiff
|
tree
2017-11-28
Szilár
d
Páll
R
e
factor GPU
ro
l
ling pru
n
e launch
commit
|
commitdiff
|
tree
2017-11-27
Szilárd Páll
Tim
e
F
F
T/ga
t
h
er in mixed mo
d
e
commit
|
commitdiff
|
tree
2017-11-24
Szilár
d
Pál
l
Add GPU sharing post-su
b
mit c
o
nfig
commit
|
commitdiff
|
tree
2017-11-23
S
zilárd Páll
Move GPU FF
T
/
g
ather launch after
G
PU nonbond
e
d
s
commit
|
commitdiff
|
tree
2017-11-07
Szilárd Pál
l
Use -mavx2 -mfma instead of -mar
c
h with AVX2
commit
|
commitdiff
|
tree
2017-11-07
Szilárd
Páll
Merge co
m
mon
nb
n
x
n
C
U
D
A/OpenCL
G
P
U wait c
o
de-path
s
commit
|
commitdiff
|
tree
2017-11-07
Szilárd Páll
Add wall
c
ycle timer for the PME GPU
F reduction
commit
|
commitdiff
|
tree
2017-11-07
Szilárd
Páll
Split
o
ff
n
bnx
n
GPU timing an
d
s
t
agin
g
reduction
commit
|
commitdiff
|
tree
2017-11-07
Szilárd Páll
D
eduplicate
CUDA
a
nd OpenCL timer struct
commit
|
commitdiff
|
tree
2017-10-31
Szil
á
r
d Páll
Fix nstlist increase wa
r
ning p
r
i
n
t
commit
|
commitdiff
|
tree
2017-10-31
Szilárd Páll
C
h
eck CUDA availab
l
e
/c
o
mpile
d
code compa
t
i
bilit
y
commit
|
commitdiff
|
tree
2017-10-31
Szilárd Páll
F
i
x ns
t
list i
n
crease warnin
g
prin
t
commit
|
commitdiff
|
tree
2017-10-26
S
z
il
á
r
d Pá
l
l
Reo
r
ganize PME GPU la
u
nc
h
commit
|
commitdiff
|
tree
2017-10-23
Szilárd Páll
Eliminate some OCL/CUDA cod
e
code duplic
a
tion
commit
|
commitdiff
|
tree
2017-10-19
S
z
ilárd
Páll
Disable OpenMP
with clang
3
.
4 p
o
st-sub
m
it config
commit
|
commitdiff
|
tree
2017-10-19
Szilárd
Pál
l
Remove unised OpenCL debugging he
l
pers
commit
|
commitdiff
|
tree
2017-10-12
Szilárd
P
áll
Re
m
o
v
e
the si
z
e_t from t
h
e
PME
g
a
t
her CUDA k
e
nels
commit
|
commitdiff
|
tree
2017-10-05
Szilárd Páll
Refactor
s
cale
d
box handling fo
r
PME/Ewald
commit
|
commitdiff
|
tree
2017-10-05
Szilárd Páll
Fix pair list
array asser
t
i
on
commit
|
commitdiff
|
tree
2017-10-05
Szilárd Páll
Avoi
d
-W
m
iss
i
ng-prototy
p
es warnings in clang CUDA buil
d
s
commit
|
commitdiff
|
tree
2017-10-03
S
z
ilárd
P
á
l
l
Move Ewald
s
pli
t
ting
-
related code to ew
a
ld-utils
commit
|
commitdiff
|
tree
2017-10-03
Szilárd Páll
Enable c
o
mpiling
C
UDA device
co
d
e with clang
commit
|
commitdiff
|
tree
2017-09-28
Szi
l
árd Páll
Correc
t
mispl
a
ced CUDA t
i
min
g
ev
e
n
t
record
commit
|
commitdiff
|
tree
2017-09-26
Sz
i
lá
r
d P
á
ll
Rename GPU
launc
h
/wait
cycle count
e
rs
commit
|
commitdiff
|
tree
2017-09-18
Sz
i
l
árd Páll
Minor refactoring of CUDA
n
o
n
-
b
ond
e
d
kernel
s
commit
|
commitdiff
|
tree
2017-09-14
Szilárd Páll
C
UDA 9/Volta support for the pruning ke
r
nel
commit
|
commitdiff
|
tree
2017-09-12
Szilárd Páll
Merge bran
c
h
'release-2016'
commit
|
commitdiff
|
tree
2017-09-11
Szilár
d
Pá
l
l
NVIDIA Volta
p
e
r
f
ormance t
w
eaks
commit
|
commitdiff
|
tree
2017-08-29
Szilárd Páll
Fix t
y
po and tweak
e
nv
v
ar docs
commit
|
commitdiff
|
tree
2017-08-29
Szilárd Pá
l
l
Avoid
division by ze
r
o
is pru
n
i
n
g
part
c
alcula
t
ion
commit
|
commitdiff
|
tree
2017-08-21
S
z
i
lárd Páll
Add Open
C
L
p
ru
n
ing kernels and lau
n
ch
/
timing logic
commit
|
commitdiff
|
tree
2017-08-18
S
z
ilárd
P
á
ll
Improve awkward handling of GM
X
_CUDA_TARGET* help
commit
|
commitdiff
|
tree
2017-08-18
Szilárd Pá
l
l
A
dd CUDA pr
u
ning kern
e
ls an
d
laun
c
h/timi
n
g
logic
commit
|
commitdiff
|
tree
2017-07-27
S
zilá
r
d Pá
l
l
Inf
o
r
m
us
e
rs about the end
of run DL
B
state
commit
|
commitdiff
|
tree
2017-06-26
Szilár
d
Pál
l
Ad
d
ARM_NEON_ASIMD
p
ost-submit test
commit
|
commitdiff
|
tree
2017-06-21
Szilárd Páll
Re-enab
l
e l
o
st D
D
warning +
m
inor
code mode
r
ni
z
ation
commit
|
commitdiff
|
tree
2017-06-20
Sz
i
lárd Páll
R
e-enable accidentally l
o
st DD
w
arning
commit
|
commitdiff
|
tree
2017-06-20
S
z
ilárd
P
áll
Refactor
i
ng
+
clarificati
o
n of DLB state ha
n
dling
commit
|
commitdiff
|
tree
2017-06-15
Szilárd Páll
Allow disabling
the
explici
t
use
of
C
UDA te
x
tur
e
s
commit
|
commitdiff
|
tree
2017-06-07
Szilárd Páll
Suppress sm_2x deprec
a
ti
o
n
w
arnin
g
with CUDA
8
.
0
commit
|
commitdiff
|
tree
2017-06-05
Szilárd
P
ál
l
Add CUDA 8
.
0 + SIMD pr
e
-submit test
commit
|
commitdiff
|
tree
2017-06-02
Szil
á
rd
P
áll
Add
A
RM
_
NEON post-submit test
commit
|
commitdiff
|
tree
2017-05-29
Szilárd Pál
l
Q
uotes are
c
ool, ty
p
o
-
f
ree
o
nes
are even "
c
ooler"
commit
|
commitdiff
|
tree
2017-05-23
Szilárd Páll
Add basic d
o
x
ygen
f
o
r the
Ver
l
et nonbon
d
ed
mo
d
ule
commit
|
commitdiff
|
tree
2017-03-29
Sz
i
lá
r
d Páll
Refactor
CUDA kernel use of
tables
commit
|
commitdiff
|
tree
2017-03-29
Szilárd
Páll
Add CU
D
A u
t
il func
t
ion f
o
r constan
t
loads
commit
|
commitdiff
|
tree
2017-03-25
Sz
i
lárd
P
áll
C
o
ndi
t
i
onal t
w
eak in the nonbonded G
P
U kernels
commit
|
commitdiff
|
tree
2017-03-17
Szilárd Pál
l
Allo
w
bypass
i
ng OpenCL device
compatibility check
commit
|
commitdiff
|
tree
2017-03-16
Szilár
d
Páll
Print code of unknown O
p
enCL err
o
r
commit
|
commitdiff
|
tree
2017-03-09
Szilárd P
á
ll
F
ix mdrun hanging upon exit with se
p
PME r
a
nks
commit
|
commitdiff
|
tree
2017-01-24
Szilárd Pál
l
Remove unused
a
rg
u
m
e
n
t in GPU kern
e
ls
commit
|
commitdiff
|
tree
2016-12-09
Szilárd Páll
Turn off hwloc support when static lib found
commit
|
commitdiff
|
tree
2016-11-17
Szilárd Páll
C
o
rrect
k
ernel launch
b
ou
n
ds for CUDA sm_60
commit
|
commitdiff
|
tree
2016-11-01
Szilárd Páll
Merge "
M
erg
e
branch re
l
ease-
2
016"
commit
|
commitdiff
|
tree
2016-10-28
S
zilárd Páll
GPU-related additions to the install/u
s
er
guid
e
commit
|
commitdiff
|
tree
2016-10-27
Szilárd
P
á
l
l
Make -cl-f
a
st-relaxed-math
d
ef
a
ult
commit
|
commitdiff
|
tree
2016-10-26
Szilárd Páll
Add GMX_DISABLE_GPU_TIMING
e
nv
var
commit
|
commitdiff
|
tree
2016-10-09
Szilárd P
á
l
l
Corre
c
t kernel launch bound
s
for CUDA sm_60
commit
|
commitdiff
|
tree
2016-08-27
Szilárd Páll
Make ASAN/TSAN/MS
A
N
b
uild types eas
i
er t
o
discover
commit
|
commitdiff
|
tree
2016-07-08
Szilárd Páll
A
dd PDF meta
d
a
t
a to
the
manua
l
commit
|
commitdiff
|
tree
2016-07-08
S
zilárd Páll
User guide c
l
arifications
commit
|
commitdiff
|
tree
2016-07-07
Sz
i
lárd Páll
A
dd user g
u
ide info
o
n CUDA application
clock
s
commit
|
commitdiff
|
tree
2016-07-05
Szilárd Páll
D
o
cument GMX_G
P
U_AP
P
L
I
C
A
TION_CL
O
CKS
commit
|
commitdiff
|
tree
2016-07-04
Szi
l
árd
P
á
ll
Disable
N
VIDIA JIT cache with Open
C
L
commit
|
commitdiff
|
tree
2016-06-14
S
zilár
d
P
á
l
l
Fix
C
UDA build with
m
ultip
l
e compilation un
i
ts
commit
|
commitdiff
|
tree
2016-06-05
Szilárd Páll
Add
support for
C
UDA CC 6
.
0
/
6
.
1
commit
|
commitdiff
|
tree
2016-06-02
Szilárd Páll
Add env
.
var
.
t
o
enable
O
penCL caching
commit
|
commitdiff
|
tree
2016-06-02
S
zilárd Páll
Fix
O
p
e
n
CL binary cache
file name gen
e
ration
commit
|
commitdiff
|
tree
2016-05-05
Szilárd P
á
ll
Remove CUD
A
host
co
m
piler cons
i
st
e
n
cy check
s
commit
|
commitdiff
|
tree
2016-04-28
Szilárd
Páll
Workaroun
d
for gcc fals
e
positive warning
commit
|
commitdiff
|
tree
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