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Added option to gmx nmeig to print ZPE.
2018-08-28
Sz
i
lárd Páll
Q
u
iet cmak
e
about
clFFT not f
o
und after
first
r
u
n
commit
|
commitdiff
|
tree
2018-08-21
Szilá
r
d Páll
R
equest
f
lush
i
n
g
denorms
t
o zero in
O
penCL
commit
|
commitdiff
|
tree
2018-08-20
Szilárd Pá
l
l
Disable
single c
o
mpilatio
n
unit with CUDA 9
.
0
commit
|
commitdiff
|
tree
2018-08-15
Szilárd Pál
l
Improve G
P
U detect
i
o
n
sanity c
h
eck e
r
ror message
commit
|
commitdiff
|
tree
2018-07-30
S
z
ilárd P
á
l
l
Mov
e
out OpenCL device utils
from
v
ectype ops
commit
|
commitdiff
|
tree
2018-07-30
Szilárd Páll
Imp
r
ove th
e
r
o
bust
n
ess
of the nv
c
c
CM
a
ke check
commit
|
commitdiff
|
tree
2018-07-30
Szilárd
P
áll
Fix nvcc host compiler che
c
k
t
rig
g
er
i
ng
commit
|
commitdiff
|
tree
2018-07-29
S
z
ilárd Páll
Correc
t
i
ons to th
e
user g
u
i
d
e
mdrun perf section
commit
|
commitdiff
|
tree
2018-06-12
S
z
ilárd Páll
Als
o
is
s
ue OMP_NUM_THREA
D
S reading not
e
to the
l
og
commit
|
commitdiff
|
tree
2018-06-04
Szilárd Pá
l
l
F
ix timing of
c
lFFT kerne
l
s
commit
|
commitdiff
|
tree
2018-05-29
Szilár
d
Pál
l
Swi
t
ch to CUDA 9
.
2 +
gcc 7
commit
|
commitdiff
|
tree
2018-04-26
Szi
l
árd Páll
B
ump required C
U
DA version to 7
.
0
commit
|
commitdiff
|
tree
2018-04-23
Szilárd Páll
Fix icc warning
in
p
ost-
s
ubmit
commit
|
commitdiff
|
tree
2018-04-21
S
z
ilárd Páll
A
d
d pos
t
-submit
w
ith AR
M
HPC
Toolchai
n
commit
|
commitdiff
|
tree
2018-04-21
Szilárd Páll
Tweak
P
M
E run mode c
h
e
c
ks
commit
|
commitdiff
|
tree
2018-04-20
S
zilá
r
d Páll
Minor fi
x
for
pre-submit matrix docs
commit
|
commitdiff
|
tree
2018-04-19
Szi
l
ár
d
Páll
M
o
v
e
the PME GPU c
l
ea
r
in
g
to th
e
e
n
d
of the step
commit
|
commitdiff
|
tree
2018-04-16
Szil
á
rd Pá
l
l
Ad
d
post-su
b
mit test with hwloc
off
commit
|
commitdiff
|
tree
2018-04-13
S
z
ilárd Páll
Use triva
l
ue op
t
i
o
n for G
M
X_
H
WLOC
commit
|
commitdiff
|
tree
2018-04-05
Szilárd Páll
Refactor cj pr
e
load
i
n the nonbonded Open
C
L kernels
commit
|
commitdiff
|
tree
2018-03-29
Szilárd Páll
Tweak/enable i
c
c
18
post-
s
ubmit tests
commit
|
commitdiff
|
tree
2018-03-29
Sz
i
l
árd Pál
l
Switch
CUDA 9
.
0
/
gc
c
5
te
s
t
t
o
CU
D
A 9
.
1
/
gcc 6
commit
|
commitdiff
|
tree
2018-03-13
Szi
l
árd Páll
Req
u
i
r
e OpenCL 1
.
2
commit
|
commitdiff
|
tree
2018-03-13
Szilárd
Páll
F
ix clang 6
.
0 with
C
U
DA 9
.
0
commit
|
commitdiff
|
tree
2018-03-12
Szilárd Páll
Av
o
id icc
-
specifi
c
-
m
a
rch=core-a
v
x2 flag with g
c
c
/cla
n
g
commit
|
commitdiff
|
tree
2018-03-06
Szi
l
árd
P
áll
Extend "Finding out how
t
o
r
un m
d
run better
"
section
commit
|
commitdiff
|
tree
2018-03-05
Szil
á
rd Páll
Add to
t
he contributor section
commit
|
commitdiff
|
tree
2018-02-21
S
zilárd Páll
Swi
t
ch
p
r
e
-submit CUD
A
8
.
0 test to 9
.
0
commit
|
commitdiff
|
tree
2018-02-20
Szilá
r
d Páll
Avo
i
d
aborting mdru
n
when G
P
U sanit
y
check detects
.
.
.
commit
|
commitdiff
|
tree
2018-02-14
Szilárd
P
áll
Remove
b
ar
r
iers preventin
g
texture refer
e
nce races
commit
|
commitdiff
|
tree
2018-02-12
Szilárd Páll
Rem
o
ve single/mu
l
ti compi
l
ation unit switching logi
c
commit
|
commitdiff
|
tree
2018-02-12
Szilárd Páll
R
e
move
t
e
x
t
ure r
e
ferenc
e
support
i
n the
C
U
DA
commit
|
commitdiff
|
tree
2018-01-12
Szilárd Páll
Cal
l
GPU
profil
e
r
r
es
e
t on separate PME r
a
n
k
s
commit
|
commitdiff
|
tree
2018-01-10
Szilárd Páll
User guide upda
t
es to GPU
section
commit
|
commitdiff
|
tree
2018-01-10
Szilárd Páll
Rel
e
ase no
t
es twe
a
k
s
commit
|
commitdiff
|
tree
2018-01-10
S
z
i
l
á
rd Páll
Install guide updates
commit
|
commitdiff
|
tree
2018-01-10
Szilárd Páll
Env
i
ronm
e
nt variab
l
e
docs
maintenance
commit
|
commitdiff
|
tree
2017-12-10
Szil
á
r
d
P
á
l
l
Disab
l
e d
e
fau
l
t-on NVML support
i
n
CMake
commit
|
commitdiff
|
tree
2017-12-06
Szilá
r
d Páll
Im
p
lem
e
n
t
a
lternating
G
PU wait
commit
|
commitdiff
|
tree
2017-11-28
Szilá
r
d
P
áll
Separa
t
e local GPU NB wait fro
m
emul
a
t
ion launch
commit
|
commitdiff
|
tree
2017-11-28
Szi
l
á
r
d Páll
Refactor
GPU rolling prune launch
commit
|
commitdiff
|
tree
2017-11-27
Szilárd Páll
Tim
e
FFT/gather in m
i
xed mode
commit
|
commitdiff
|
tree
2017-11-24
Szilárd Pá
l
l
Ad
d
GPU
s
har
i
n
g po
s
t-s
u
bmit con
f
i
g
commit
|
commitdiff
|
tree
2017-11-23
S
zilárd P
á
ll
M
ove GPU
F
FT/gather launch after GPU nonbo
n
de
d
s
commit
|
commitdiff
|
tree
2017-11-07
Szilár
d
Pál
l
Use
-
m
a
vx2 -mfma
instead of -marc
h
with AVX2
commit
|
commitdiff
|
tree
2017-11-07
Szil
á
rd Páll
Merge common nbnxn CUDA
/
OpenCL GPU wait code-p
a
t
hs
commit
|
commitdiff
|
tree
2017-11-07
Szil
á
rd Pá
l
l
Add w
a
llc
y
cle timer fo
r
the
P
M
E GPU F
r
eduction
commit
|
commitdiff
|
tree
2017-11-07
Szilá
r
d Páll
Split of
f
nbnxn GPU timing and sta
g
ing
reduction
commit
|
commitdiff
|
tree
2017-11-07
Szilár
d
Pál
l
Dedup
l
i
c
a
t
e CUDA and
O
penCL timer str
u
ct
commit
|
commitdiff
|
tree
2017-10-31
Sz
i
lárd Páll
Fix n
s
tli
s
t increa
s
e warning print
commit
|
commitdiff
|
tree
2017-10-31
Szilárd Páll
Check
CU
D
A
available
/
compiled code c
o
mpati
b
i
lity
commit
|
commitdiff
|
tree
2017-10-31
Szil
á
rd Páll
F
i
x
nstlist inc
r
eas
e
wa
r
ning
p
rint
commit
|
commitdiff
|
tree
2017-10-26
Sz
i
lá
r
d Pál
l
Reorganize PME GPU launch
commit
|
commitdiff
|
tree
2017-10-23
Szi
l
á
r
d
P
á
ll
Eliminate some OCL/CUDA
c
o
de code dup
l
icati
o
n
commit
|
commitdiff
|
tree
2017-10-19
Szilárd Páll
Disable OpenMP with
c
l
a
ng 3
.
4 post-
s
ubmit config
commit
|
commitdiff
|
tree
2017-10-19
S
zilárd Páll
Remove u
n
ised OpenCL debugging helpers
commit
|
commitdiff
|
tree
2017-10-12
Szilárd
Pá
l
l
Rem
o
v
e the size_t from the PME
gather CUDA kenels
commit
|
commitdiff
|
tree
2017-10-05
S
zilárd Páll
Refac
t
or sca
l
e
d
box ha
n
dling for
PM
E
/Ewald
commit
|
commitdiff
|
tree
2017-10-05
Szilárd Páll
Fix
p
a
i
r list array assertion
commit
|
commitdiff
|
tree
2017-10-05
S
zilárd Pál
l
Avoid -Wmissing-prototy
p
es warni
n
gs in clang C
U
DA b
u
ild
s
commit
|
commitdiff
|
tree
2017-10-03
Szilár
d
P
áll
M
ove Ewa
l
d
splitting-rela
t
e
d c
o
de to ewald-utils
commit
|
commitdiff
|
tree
2017-10-03
Szilárd
P
áll
Enable
c
ompil
i
n
g CUDA device code wit
h
clang
commit
|
commitdiff
|
tree
2017-09-28
Sz
i
lárd Páll
Correct mi
s
placed CUDA timing e
v
ent record
commit
|
commitdiff
|
tree
2017-09-26
Szil
á
rd Páll
Renam
e
GPU laun
c
h/
w
a
it cycle coun
t
ers
commit
|
commitdiff
|
tree
2017-09-18
Szilárd Páll
Mi
n
or ref
a
ctoring of C
U
DA
n
on-bonded kernels
commit
|
commitdiff
|
tree
2017-09-14
Szilárd Páll
CUDA 9/
V
olta su
p
port for the
pru
n
i
n
g k
e
rnel
commit
|
commitdiff
|
tree
2017-09-12
Szilárd Páll
Merge br
a
nch
'
rele
a
se-2016'
commit
|
commitdiff
|
tree
2017-09-11
Szilárd Pál
l
NVIDIA Volta performance
tweaks
commit
|
commitdiff
|
tree
2017-08-29
S
zilárd Páll
Fix typo a
n
d t
w
e
a
k
env var
docs
commit
|
commitdiff
|
tree
2017-08-29
Szilárd Páll
A
void di
v
ision by zero is pruning part calcula
t
i
o
n
commit
|
commitdiff
|
tree
2017-08-21
S
z
ilárd
P
áll
Add Ope
n
CL pruning ker
n
els
a
nd launch
/
timing logic
commit
|
commitdiff
|
tree
2017-08-18
Szilár
d
Páll
Imp
r
ove awkward handling o
f
G
MX_C
U
D
A
_T
A
RGET* help
commit
|
commitdiff
|
tree
2017-08-18
S
z
ilárd Páll
A
dd CU
D
A
pruning
k
er
n
e
l
s and launch/ti
m
i
n
g logic
commit
|
commitdiff
|
tree
2017-07-27
Szilárd Páll
Inf
o
rm users ab
o
u
t the end of run D
L
B state
commit
|
commitdiff
|
tree
2017-06-26
S
z
i
l
á
r
d Páll
Add ARM_NEON_ASIMD post-submit
t
est
commit
|
commitdiff
|
tree
2017-06-21
S
zilárd Páll
Re-
e
nable
l
o
st DD
w
arning +
mino
r
code
modernization
commit
|
commitdiff
|
tree
2017-06-20
Szil
á
rd
P
áll
Re-enable a
c
c
i
dentally lost
D
D
w
a
rning
commit
|
commitdiff
|
tree
2017-06-20
S
z
i
lá
r
d Páll
Refactoring
+ clarification of DL
B
state
h
andling
commit
|
commitdiff
|
tree
2017-06-15
S
z
il
á
rd Páll
Allow disabling the ex
p
licit use
of CUDA textures
commit
|
commitdiff
|
tree
2017-06-07
Szilárd Páll
Suppress sm_2x depr
e
cation war
n
ing with CUD
A
8
.
0
commit
|
commitdiff
|
tree
2017-06-05
Szilár
d
Páll
Add
CUDA 8
.
0 + SIMD pre-submit test
commit
|
commitdiff
|
tree
2017-06-02
Szilárd Páll
Add ARM
_
N
EON p
o
st-subm
i
t
t
est
commit
|
commitdiff
|
tree
2017-05-29
Szilár
d
Páll
Quo
t
e
s
a
re cool, ty
p
o-free ones are eve
n
"cooler"
commit
|
commitdiff
|
tree
2017-05-23
Szil
á
r
d Páll
Add basic doxygen for the
Ver
l
et nonbonded modu
l
e
commit
|
commitdiff
|
tree
2017-03-29
Szilárd
Páll
R
efactor CU
D
A kern
e
l use
o
f
tabl
e
s
commit
|
commitdiff
|
tree
2017-03-29
S
zilárd Páll
Add CUDA util function
f
or c
o
ns
t
ant loads
commit
|
commitdiff
|
tree
2017-03-25
Sz
i
lár
d
Páll
Cond
i
tional
t
w
eak
i
n the nonbonded GPU kernel
s
commit
|
commitdiff
|
tree
2017-03-17
S
z
i
l
árd Páll
Allow bypassing Ope
n
CL d
e
vice com
p
atibility chec
k
commit
|
commitdiff
|
tree
2017-03-16
Szilárd P
á
ll
Print
c
ode of unknown
O
pen
C
L
error
commit
|
commitdiff
|
tree
2017-03-09
Szilárd Páll
Fix mdrun ha
n
gin
g
up
o
n
exi
t
wi
t
h sep
P
ME
r
anks
commit
|
commitdiff
|
tree
2017-01-24
S
zil
á
rd Páll
Rem
o
ve unused arg
u
ment in
G
P
U
kernels
commit
|
commitdiff
|
tree
2016-12-09
Szilárd Páll
Turn off hw
l
o
c
su
p
por
t
when
s
ta
t
ic lib
f
ound
commit
|
commitdiff
|
tree
2016-11-17
Szi
l
ár
d
P
áll
Correct
k
ernel launc
h
b
o
unds fo
r
C
U
D
A
sm_60
commit
|
commitdiff
|
tree
2016-11-01
Szi
l
árd Pál
l
M
e
r
ge "Me
r
ge branch release-2
0
1
6
"
commit
|
commitdiff
|
tree
2016-10-28
Szilárd
Páll
GPU-related addi
t
i
o
ns to
t
h
e
install/user gu
i
de
commit
|
commitdiff
|
tree
2016-10-27
S
z
i
l
árd
Páll
Ma
k
e -cl-fast
-
relaxed-math
default
commit
|
commitdiff
|
tree
2016-10-26
Szilárd Pál
l
Add GMX_D
I
SABLE_GP
U
_TIMING env var
commit
|
commitdiff
|
tree
2016-10-09
Szilárd Páll
Correct k
e
rnel launch bound
s
fo
r
CU
D
A s
m
_60
commit
|
commitdiff
|
tree
2016-08-27
Szilárd Páll
Mak
e
ASA
N
/
T
S
A
N/M
S
AN build types easier to dis
c
ov
e
r
commit
|
commitdiff
|
tree
2016-07-08
Szilárd Páll
A
d
d
P
DF
metadata to the man
u
al
commit
|
commitdiff
|
tree
next