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Better document GMX_OPENMP_MAX_THREADS
2019-03-28
Szil
á
rd Pá
l
l
B
e
t
t
er d
o
cument GMX_O
P
EN
M
P_
M
AX_THREA
D
S
commit
|
commitdiff
|
tree
2019-03-05
Szilárd Páll
Relax
O
penCL ga
t
her kernel barr
i
e
r on AMD
commit
|
commitdiff
|
tree
2019-02-15
Szilárd
P
á
l
l
Exte
n
d
perfo
r
mance considerations on bonded offload
commit
|
commitdiff
|
tree
2019-02-13
Szilárd
Páll
Disable in
s
truction f
u
sion on Powe
r
8
commit
|
commitdiff
|
tree
2019-02-07
Sz
i
lárd Páll
Requir
e
a 64
-
bit platform for Open
C
L
commit
|
commitdiff
|
tree
2019-01-30
Szi
l
árd Páll
F
ix
d
ouble
-
increm
e
nt
o
f GPU
N
B
l
a
u
nch s
u
bcou
n
ter
commit
|
commitdiff
|
tree
2019-01-21
Szilárd Páll
Add C
U
D
A CC 7
.
5 (Tu
r
i
n
g) suppor
t
with nvcc
commit
|
commitdiff
|
tree
2019-01-04
S
z
ilárd
P
áll
Fix formatting w
a
rning
commit
|
commitdiff
|
tree
2019-01-02
Sz
i
l
á
rd Páll
D
o
n
ot whitelist the use of OpenCL 1
.
1
AP
I
commit
|
commitdiff
|
tree
2018-12-31
Szil
á
rd
Páll
Fix release note
s
typo
commit
|
commitdiff
|
tree
2018-12-31
Szilárd Páll
Add CUD
A
CC 7
.
5 (T
u
ring) supp
o
rt with nvcc
commit
|
commitdiff
|
tree
2018-12-22
Szilárd Páll
R
un
t
ime
c
heck of
device OpenC
L
su
p
p
o
rt
commit
|
commitdiff
|
tree
2018-12-21
Szilárd Páll
Make jenkins own-ff
t
w
ver
i
f
y us
e
l
o
cal tarball
commit
|
commitdiff
|
tree
2018-12-20
Szilárd P
á
ll
Fix CUDA compiled targe
t
-device c
o
mpatibility
ch
e
ck
commit
|
commitdiff
|
tree
2018-12-20
Szilárd Páll
Correct CUDA comp
a
tibility check
commit
|
commitdiff
|
tree
2018-12-20
Sz
i
lárd Páll
M
erge "
M
erge bran
c
h release-2018 into releas
e
-
2
019
.
.
.
commit
|
commitdiff
|
tree
2018-12-17
Szilárd Páll
Fix GMX
_
BU
I
LD_
O
WN_FFT
W
_UR
L
CMak
e
cache entry typ
e
commit
|
commitdiff
|
tree
2018-12-14
Szilárd
P
ál
l
En
a
ble ARMPL in the
a
rmclang
build
commit
|
commitdiff
|
tree
2018-12-13
Szilár
d
P
á
ll
A
v
oid spurious timing in bonded GPU
l
aunch sub
c
ounter
commit
|
commitdiff
|
tree
2018-12-13
Szilárd Páll
Doc
u
ment the
FP exception
i
n cuFFT
7
.
0
commit
|
commitdiff
|
tree
2018-12-12
Szilárd P
á
ll
Improve DL
B
report/note
commit
|
commitdiff
|
tree
2018-12-11
S
z
i
l
árd P
á
ll
Tweak t
h
e
b
o
nded GPU ene
r
gy copy/wait ope
r
ati
o
ns
commit
|
commitdiff
|
tree
2018-12-06
Szilárd Páll
Add Bond
e
d GPU launch
o
verhead
c
ycle subcoun
t
er
commit
|
commitdiff
|
tree
2018-12-06
Szilárd Páll
Swa
p
the order
o
f
GPU
b
onded a
n
d
nonbond
e
d launc
h
commit
|
commitdiff
|
tree
2018-12-06
Szi
l
árd Pál
l
Fix
c
ondition
a
l i
n
no
n
local nb
n
xn GPU work skippin
g
commit
|
commitdiff
|
tree
2018-12-06
S
z
ilárd Páll
Split nbnxn input copy and kern
e
l launch
commit
|
commitdiff
|
tree
2018-12-05
Szilárd
P
áll
C
o
rrect t
h
read c
o
unt in
t
he
P
ME GPU
reductio
n
commit
|
commitdiff
|
tree
2018-11-27
Szil
á
rd P
á
ll
A
d
d AR
M
PL
support to
a
d
min scr
i
pt
commit
|
commitdiff
|
tree
2018-11-27
S
z
ilárd Páll
Add tweaks t
o
sup
p
ort ARMPL fo
r
FFTs
commit
|
commitdiff
|
tree
2018-11-07
Szilárd Páll
Re-enable the
ar
m
clang po
s
t-
s
ubmit
build
commit
|
commitdiff
|
tree
2018-11-07
Szil
á
rd P
á
ll
El
i
minate ma
c
ro th
a
t
expan
d
s to variabl
e
in PME
GPU
commit
|
commitdiff
|
tree
2018-11-07
Szil
á
rd
P
á
l
l
En
s
ure
m
i
n
imum exec width of the PME OpenCL kernels
commit
|
commitdiff
|
tree
2018-10-14
Szilár
d
P
áll
Fix m
o
re clang-6 warnin
g
s
i
n CUDA code
commit
|
commitdiff
|
tree
2018-10-14
Szilárd Páll
Modernize OpenCL memory a
l
l
ocation flags
commit
|
commitdiff
|
tree
2018-10-10
Szil
á
rd Páll
Swap
c
ustom Op
e
nCL
memset kernel f
o
r
clE
n
queueFillBuffer
commit
|
commitdiff
|
tree
2018-10-09
Szilá
r
d Páll
Update regressiontest ref to download
commit
|
commitdiff
|
tree
2018-10-08
Szilárd
P
á
ll
Tweak FindFFT
W
API checks
commit
|
commitdiff
|
tree
2018-10-08
Szilárd Pál
l
Fix clang-
6
w
a
rnings
commit
|
commitdiff
|
tree
2018-10-08
Szilárd
Pál
l
Repla
c
e so
m
e N
U
LL with nullptr in
C
U
DA
cod
e
commit
|
commitdiff
|
tree
2018-10-07
Szilárd Páll
Use
n
e
w
GPU slave for AMD OpenCL verif
y
run
s
commit
|
commitdiff
|
tree
2018-10-05
S
z
ilá
r
d Pál
l
Update test mat
r
ic
e
s
with new GPU s
p
ecifi
e
rs
commit
|
commitdiff
|
tree
2018-09-29
S
z
ilárd Páll
Fix constrain
t
s cycle
c
ounting
commit
|
commitdiff
|
tree
2018-09-21
Szil
á
rd Páll
B
ump tes
t
timeout only
for
Ope
n
CL integration tests
commit
|
commitdiff
|
tree
2018-08-28
S
zi
l
á
r
d Páll
Quiet cmake about cl
F
FT not fou
n
d
a
fter first run
commit
|
commitdiff
|
tree
2018-08-21
Szilár
d
Páll
R
e
q
u
e
st flushin
g
denorms
t
o zer
o
in OpenCL
commit
|
commitdiff
|
tree
2018-08-20
Szil
á
rd Páll
Disable
s
ingle compilatio
n
unit
w
ith CUDA 9
.
0
commit
|
commitdiff
|
tree
2018-08-15
Szilá
r
d Páll
Improve GPU
detection san
i
ty
chec
k
error message
commit
|
commitdiff
|
tree
2018-07-30
Szilárd P
á
ll
Move ou
t
OpenCL devi
c
e
utils fr
o
m vect
y
pe ops
commit
|
commitdiff
|
tree
2018-07-30
Szilárd Páll
I
m
prove the
r
o
bustness of the nvc
c
CM
a
k
e
c
he
c
k
commit
|
commitdiff
|
tree
2018-07-30
Szilárd Páll
Fix
n
vcc host compiler chec
k
trigg
e
ring
commit
|
commitdiff
|
tree
2018-07-29
Szilárd P
á
ll
Correction
s
to the
user
guide mdrun
p
e
r
f section
commit
|
commitdiff
|
tree
2018-06-12
S
zilárd Páll
A
lso issue
O
MP_NUM_TH
R
EADS readin
g
note to t
h
e
l
o
g
commit
|
commitdiff
|
tree
2018-06-04
Szilár
d
Páll
Fix timing of c
l
FF
T
kernels
commit
|
commitdiff
|
tree
2018-05-29
Szilárd Páll
Switch to
C
UD
A
9
.
2 +
g
c
c
7
commit
|
commitdiff
|
tree
2018-04-26
Sz
i
lá
r
d
Páll
Bump requir
e
d CUDA version to 7
.
0
commit
|
commitdiff
|
tree
2018-04-23
S
z
i
lárd
P
á
l
l
Fix ic
c
warning in
p
ost-submit
commit
|
commitdiff
|
tree
2018-04-21
Szilárd Páll
Add
p
o
st-submit
w
ith ARM H
P
C
T
ool
c
h
a
in
commit
|
commitdiff
|
tree
2018-04-21
Szilárd Pál
l
Tweak PME run mode
c
hecks
commit
|
commitdiff
|
tree
2018-04-20
Szilá
r
d Pá
l
l
Minor
fix for pre-
s
u
b
mit mat
r
ix
d
ocs
commit
|
commitdiff
|
tree
2018-04-19
S
z
ilár
d
P
á
l
l
Move the P
M
E GPU c
l
ea
r
ing to the end of
t
h
e st
e
p
commit
|
commitdiff
|
tree
2018-04-16
Sz
i
l
á
r
d Páll
A
dd post-submit test wi
t
h
h
wloc off
commit
|
commitdiff
|
tree
2018-04-13
Szil
á
rd Páll
U
se triva
l
ue op
t
ion for G
M
X_
H
WL
O
C
commit
|
commitdiff
|
tree
2018-04-05
S
z
i
l
árd Páll
Refactor cj pre
l
oad i
n
the nonbonded Ope
n
CL kerne
l
s
commit
|
commitdiff
|
tree
2018-03-29
Szilárd
P
áll
Tweak/enable icc 18 post-s
u
bmit te
s
ts
commit
|
commitdiff
|
tree
2018-03-29
Szilárd Páll
Switch
CUDA 9
.
0/gcc
5 test to CUDA 9
.
1/gcc 6
commit
|
commitdiff
|
tree
2018-03-13
Szilár
d
Páll
R
e
q
uire OpenCL 1
.
2
commit
|
commitdiff
|
tree
2018-03-13
Sz
i
l
á
r
d Páll
Fix cla
n
g
6
.
0 w
i
th CUDA 9
.
0
commit
|
commitdiff
|
tree
2018-03-12
Sz
i
l
á
r
d
Páll
A
v
oid icc-specific -march=core-avx2
flag wit
h
gcc/clang
commit
|
commitdiff
|
tree
2018-03-06
S
zilárd Pá
l
l
Extend "Findin
g
ou
t
how to run m
d
run better" sect
i
on
commit
|
commitdiff
|
tree
2018-03-05
Szi
l
árd
P
áll
Add to the contr
i
butor section
commit
|
commitdiff
|
tree
2018-02-21
Szilárd
Páll
Sw
i
tc
h
pre-submit CUDA
8
.
0 t
e
st to 9
.
0
commit
|
commitdiff
|
tree
2018-02-20
Szilárd Páll
Avoid aborting mdrun when GPU
sanity check detects
.
.
.
commit
|
commitdiff
|
tree
2018-02-14
Szilá
r
d Páll
Remove barriers preventing texture reference r
a
ce
s
commit
|
commitdiff
|
tree
2018-02-12
Sz
i
lárd Páll
Remove sing
l
e/multi
compilation unit switc
h
in
g
logic
commit
|
commitdiff
|
tree
2018-02-12
Szilá
r
d Páll
Remove t
e
xture referen
c
e support in the CUDA
commit
|
commitdiff
|
tree
2018-01-12
Szilárd
Páll
Call
GPU
profiler reset on s
e
par
a
te
PME ranks
commit
|
commitdiff
|
tree
2018-01-10
Sz
i
l
árd Páll
Use
r
g
u
ide updates to GPU section
commit
|
commitdiff
|
tree
2018-01-10
Szi
l
ár
d
Páll
Release notes twe
a
k
s
commit
|
commitdiff
|
tree
2018-01-10
Szi
l
á
r
d Páll
In
s
tall
g
uide updates
commit
|
commitdiff
|
tree
2018-01-10
Szilá
r
d
Páll
Environ
m
e
nt
v
ariable docs maintenance
commit
|
commitdiff
|
tree
2017-12-10
Sz
i
lárd Páll
Disa
b
le default-on NVML support in CMake
commit
|
commitdiff
|
tree
2017-12-06
Szilárd Páll
Impleme
n
t alterna
t
in
g
G
P
U w
a
it
commit
|
commitdiff
|
tree
2017-11-28
Szilárd P
á
l
l
Separate local GPU N
B
wa
i
t from
emulation launch
commit
|
commitdiff
|
tree
2017-11-28
Szilá
r
d Pál
l
Refact
o
r GPU rolling
prune launch
commit
|
commitdiff
|
tree
2017-11-27
Szilárd Páll
Tim
e
F
F
T/gather in mixed mode
commit
|
commitdiff
|
tree
2017-11-24
Szilárd Páll
A
dd
GP
U
sha
r
ing p
o
s
t-submit
config
commit
|
commitdiff
|
tree
2017-11-23
Sz
i
lár
d
Pá
l
l
Move
G
P
U
F
FT/g
a
ther l
a
unch after GPU nonbondeds
commit
|
commitdiff
|
tree
2017-11-07
Szilárd
P
áll
U
se
-
m
avx2 -mfma instead of
-march
with AVX2
commit
|
commitdiff
|
tree
2017-11-07
Szilá
r
d
P
á
l
l
Merge common nb
n
xn CU
D
A/OpenCL GPU wait code-paths
commit
|
commitdiff
|
tree
2017-11-07
Szilárd
Páll
Add w
a
llcycle timer for the
PME
GP
U
F reducti
o
n
commit
|
commitdiff
|
tree
2017-11-07
Szil
á
rd Páll
Spl
i
t off nbnxn GPU timing
and
s
taging
r
eduction
commit
|
commitdiff
|
tree
2017-11-07
Szilárd
P
á
l
l
Ded
u
plica
t
e CUDA a
n
d
OpenCL timer
struct
commit
|
commitdiff
|
tree
2017-10-31
Szilá
r
d Páll
Fix nstlist increase warning pri
n
t
commit
|
commitdiff
|
tree
2017-10-31
S
zilárd Pá
l
l
Chec
k
C
U
D
A
availabl
e
/compil
e
d code compatibility
commit
|
commitdiff
|
tree
2017-10-31
Szilá
r
d Pá
l
l
Fix nstlist in
c
rease warning
p
rint
commit
|
commitdiff
|
tree
2017-10-26
Sz
i
l
árd Pál
l
Re
o
r
g
a
ni
z
e
P
ME GPU launch
commit
|
commitdiff
|
tree
2017-10-23
Szilárd Pá
l
l
Elimina
t
e
s
om
e
O
CL/CU
D
A code code du
p
lication
commit
|
commitdiff
|
tree
2017-10-19
S
z
ilárd Páll
Dis
a
ble
O
p
e
n
MP
w
i
th clang 3
.
4 post-submit config
commit
|
commitdiff
|
tree
2017-10-19
Szilárd Páll
Remo
v
e
unis
e
d OpenCL debugg
i
ng helpers
commit
|
commitdiff
|
tree
2017-10-12
Szilárd Páll
Remove the size_t
f
rom
t
he PME gather CUDA kenels
commit
|
commitdiff
|
tree
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