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Quotes from Gottingen workshop
2017-05-23
Szilárd
P
á
l
l
Add
basi
c
doxygen for the Verlet nonbonded module
commit
|
commitdiff
|
tree
2017-03-29
Szilárd Pá
l
l
Refactor CUDA kernel use of
tabl
e
s
commit
|
commitdiff
|
tree
2017-03-29
Sz
i
lárd
P
áll
Add
C
U
DA util function fo
r
con
s
tant loa
d
s
commit
|
commitdiff
|
tree
2017-03-25
Szilárd Páll
C
onditional tweak
in the non
b
onded GPU kern
e
ls
commit
|
commitdiff
|
tree
2017-03-17
Szilárd
P
ál
l
A
llow bypassing OpenCL device compatibili
t
y ch
e
ck
commit
|
commitdiff
|
tree
2017-03-16
Szilárd Pál
l
P
r
i
nt co
d
e of unknown OpenCL error
commit
|
commitdiff
|
tree
2017-03-09
Szilárd Páll
Fix
mdrun
hanging upon exit with
s
ep PME ranks
commit
|
commitdiff
|
tree
2017-01-24
Szilárd
Páll
Remove unused argument in GPU kernels
commit
|
commitdiff
|
tree
2016-12-09
Szilárd Páll
Turn of
f
hwloc
s
u
pport when st
a
tic lib found
commit
|
commitdiff
|
tree
2016-11-17
Szilárd Páll
Co
r
rect kerne
l
launch
bo
u
nds for CUD
A
sm_60
commit
|
commitdiff
|
tree
2016-11-01
Szilárd Páll
Merge "M
e
rge branch release-2016"
commit
|
commitdiff
|
tree
2016-10-28
Szilárd
P
á
ll
GPU-rel
a
ted a
d
ditions to the
i
nstall/us
e
r guide
commit
|
commitdiff
|
tree
2016-10-27
Szilárd
P
áll
Make -c
l
-fas
t
-relax
e
d-math default
commit
|
commitdiff
|
tree
2016-10-26
Sz
i
lárd
P
áll
A
dd GMX_DISABLE_GPU_TIMING
e
nv v
a
r
commit
|
commitdiff
|
tree
2016-10-09
S
zilá
r
d Páll
Correct k
e
rnel
launch boun
d
s
for
C
UDA
s
m_60
commit
|
commitdiff
|
tree
2016-08-27
Szilárd
Pál
l
Make ASAN
/
T
SAN/MSAN bui
l
d
types
e
a
sier to di
s
cover
commit
|
commitdiff
|
tree
2016-07-08
Szilárd Páll
Add P
D
F metada
t
a to the
m
anual
commit
|
commitdiff
|
tree
2016-07-08
Szilá
r
d Pál
l
User guide cl
a
r
ifications
commit
|
commitdiff
|
tree
2016-07-07
Szilárd
P
áll
Add user
guide
info on CUDA appl
i
c
ation c
l
o
cks
commit
|
commitdiff
|
tree
2016-07-05
Szilárd
P
á
ll
Document GMX_GPU_APPLICATION_CLOCKS
commit
|
commitdiff
|
tree
2016-07-04
S
z
ilárd Páll
D
isable NVIDIA
JIT cach
e
wi
t
h
OpenCL
commit
|
commitdiff
|
tree
2016-06-14
S
z
ilárd Páll
F
i
x CUDA buil
d
with
mult
i
ple compilation u
n
its
commit
|
commitdiff
|
tree
2016-06-05
Szi
l
á
rd Páll
Add sup
p
ort for CUDA CC 6
.
0/6
.
1
commit
|
commitdiff
|
tree
2016-06-02
Szilárd Páll
Add env
.
var
.
to
e
n
a
b
le OpenCL caching
commit
|
commitdiff
|
tree
2016-06-02
Szilárd Páll
F
i
x OpenCL
binary
c
ache file name generation
commit
|
commitdiff
|
tree
2016-05-05
Szilárd Pá
l
l
Remov
e
CUDA host
compiler con
s
istenc
y
checks
commit
|
commitdiff
|
tree
2016-04-28
Szilárd Páll
Wor
k
around for gcc false
positi
v
e warning
commit
|
commitdiff
|
tree
2016-04-27
Sz
i
lárd
P
á
ll
F
i
x multiple MPI ranks per node
with OpenCL
commit
|
commitdiff
|
tree
2016-04-26
Szilárd Páll
Fix OpenCL asserti
o
n
commit
|
commitdiff
|
tree
2016-04-19
Szilárd
P
áll
M
o
ve out CUDA
p
rofi
l
e
r
trigg
e
rs from NBNXN
commit
|
commitdiff
|
tree
2016-04-13
Szi
l
árd Páll
Spelling
f
i
x
es
commit
|
commitdiff
|
tree
2016-04-13
Szilár
d
Pá
l
l
Do not create e
m
pty man/man
7
dire
c
t
ory
commit
|
commitdiff
|
tree
2016-04-04
S
zilárd Pál
l
Ma
r
k more v
a
riables as advanced
commit
|
commitdiff
|
tree
2016-03-31
Szilárd Páll
re
f
actor
C
UDA tex
t
ure
-
based table initialization
commit
|
commitdiff
|
tree
2016-03-31
Szi
l
árd Pá
l
l
Fix multipl
e
tMPI ranks per OpenCL d
e
vice
commit
|
commitdiff
|
tree
2016-03-30
Szilárd Páll
LJ
combination ru
l
e kernels for
O
penCL
commit
|
commitdiff
|
tree
2016-03-30
S
zilárd
P
áll
Re-ena
b
l
e
i-at
o
m t
y
pe local
m
e
m
prefetch in OpenC
L
commit
|
commitdiff
|
tree
2016-03-30
S
zilár
d
Páll
Des
c
rib
e
AMD APPSDK
3
.
0 issues in the
g
uide
commit
|
commitdiff
|
tree
2016-03-17
Szil
á
rd Páll
Fixe
d
O
p
enC
L
e
/
f
shift clear kernel first in
v
ocati
o
n
commit
|
commitdiff
|
tree
2016-02-26
Szil
á
rd Páll
Fix left
o
v
e
r load() calls in th
e
si
m
d util headers
commit
|
commitdiff
|
tree
2016-02-19
Szilárd Páll
Fix OpenCL table interpolatio
n
s of Ewald correcti
o
n
commit
|
commitdiff
|
tree
2016-02-17
S
z
ilárd P
á
ll
reint
r
oduce
s
upercl i
n
teraction mask cons
t
ant
commit
|
commitdiff
|
tree
2016-02-17
Szi
l
árd Páll
change
macros to
constants in GPU code
commit
|
commitdiff
|
tree
2016-02-15
Szi
l
árd Páll
Allow GMX_NB_MIN_CI=
0
to be pass
e
d
commit
|
commitdiff
|
tree
2016-02-11
Szi
l
ár
d
Páll
Re-enable
LJ-PME + Lore
n
tz-Berthelot on GPUs
commit
|
commitdiff
|
tree
2016-02-08
S
zilárd Páll
Handl
e
uniformly GMX_OC
L
_NOGENCACHE
commit
|
commitdiff
|
tree
2016-01-26
Szilárd Páll
GP
U
code reorganization and tweak
s
commit
|
commitdiff
|
tree
2016-01-20
S
zilárd Páll
Merge remote-tracking bra
n
ch 'o
r
i
g
in/relea
s
e
-
5-1'
in
t
o
.
.
.
commit
|
commitdiff
|
tree
2016-01-09
Szilárd Pál
l
spl
i
t
N
BNXN CUDA kernels int
o
fo
u
r
c
ompi
l
ation
u
n
its
commit
|
commitdiff
|
tree
2015-10-15
Szilár
d
Páll
Add CUDA nvcc >=7
.
0 support
commit
|
commitdiff
|
tree
2015-10-15
Szilárd Pál
l
Correct
C
UDA
version compar
i
s
ons
commit
|
commitdiff
|
tree
2015-05-06
Szilárd
P
á
ll
Me
r
g
e
"Merge
r
elease-
4
-6
in
t
o releas
e
-
5
-
0
" i
n
to release-5-0
commit
|
commitdiff
|
tree
2015-04-21
S
zilárd Páll
Al
l
o
w manually sett
i
ng ta
r
get GP
U
archi
t
e
c
tures
commit
|
commitdiff
|
tree
2015-04-17
Szilárd Páll
define
CUDA version and texobj
support in config
.
h
commit
|
commitdiff
|
tree
2014-11-29
Szilár
d
Pál
l
Add ke
r
n
el
a
nd compiler suport fo
r
CC
3
.
7
d
evices
commit
|
commitdiff
|
tree
2014-11-17
S
zilárd
P
áll
A
l
l
o
w
increasing CU
D
A thr
e
ad blo
c
k size
commit
|
commitdiff
|
tree
2014-11-17
S
z
i
l
á
rd P
á
ll
Ad
d
CUD
A
compiler s
u
pport f
o
r
CC
5
.
0
commit
|
commitdiff
|
tree
2014-11-14
Szilárd Páll
S
t
a
rt nvp
r
of profiling at
c
o
u
nter reset
commit
|
commitdiff
|
tree
2014-09-26
Sz
i
lá
r
d Páll
Fix incorr
e
ct a
s
sertio
n
s
t
atement
commit
|
commitdiff
|
tree
2014-09-09
Szilá
r
d Páll
Fix m
a
lform
e
d CUDA versi
o
n
m
acro ch
e
ck
commit
|
commitdiff
|
tree
2014-06-01
Szilárd Páll
Add quot
e
o
n
the kT-
k
j/m
o
l conversion factor
commit
|
commitdiff
|
tree
2014-03-11
Szil
á
rd
P
á
ll
B
u
mp required CU
D
A v
e
rsion to 4
.
0
commit
|
commitdiff
|
tree
2014-01-28
Sz
i
lárd Páll
cla
r
ified OpenMP-relate
d
th
i
ngs in mdrun
h
elp/man
commit
|
commitdiff
|
tree
2013-11-19
Szilárd Páll
F
ix
D
D load balanci
n
g
bu
g
with G
P
U sharing
commit
|
commitdiff
|
tree
2013-05-30
Szilárd Páll
f
i
x unnecess
a
r
y swi
t
ch t
o
polling GPU wai
t
commit
|
commitdiff
|
tree
2013-02-10
Szil
á
rd
P
áll
use leg
a
cy CUDA no
n
-bonded
k
e
r
n
e
ls
on
l
y on
Fe
r
mi
commit
|
commitdiff
|
tree
2013-01-18
Szi
l
árd Páll
fix OpenMP detection on M
a
c OS broken by a6fee0b
commit
|
commitdiff
|
tree
2013-01-17
Szilárd P
á
l
l
added missing cleanup of some nbnxn_cuda data
commit
|
commitdiff
|
tree
2013-01-17
Szilárd Páll
Merge chang
e
s I930b316
c
,Iea4
2
83e0,
I
103648f8 i
n
to rel
e
ase
-
4-6
commit
|
commitdiff
|
tree
2013-01-17
Szilárd Páll
u
s
e
t
he compi
l
er version pr
o
vided by CMake >=2
.
8
.
9
commit
|
commitdiff
|
tree
2013-01-17
S
z
ilár
d
Pá
l
l
note the reason for auto-disabling GPU support
i
n
C
Make
commit
|
commitdiff
|
tree
2013-01-17
Szilárd Páll
clarify wording
o
f
G
PU dr
i
ver-
r
elated
n
o
tes
commit
|
commitdiff
|
tree
2013-01-15
Szilá
r
d
P
ál
l
d
i
s
able OpenMP with all OS X gc
c
4
.
2-
b
ased comp
i
ler
s
commit
|
commitdiff
|
tree
2012-12-19
Szilárd Páll
Merge "
A
vo
i
d using un
d
ef
i
ne
d
CM
a
ke variable
s
"
i
nto
.
.
.
commit
|
commitdiff
|
tree
2012-12-19
Szilár
d
Pál
l
Me
r
ge
"Removed o
r
phan file" in
t
o release-4-6
commit
|
commitdiff
|
tree
2012-12-17
Szilárd P
á
l
l
Merge "
r
educed PLINC
S
co
m
munication with H-bond co
n
stra
i
nts
.
.
.
commit
|
commitdiff
|
tree
2012-11-28
Sz
i
lárd
Páll
Merge changes I9
b
865c4c
,
Ib709290e int
o
release
-
4-6
commit
|
commitdiff
|
tree
2012-11-23
S
z
i
lárd Páll
Me
r
ge "Updates to CMake t
r
eat
m
en
t
of
O
penMP" into r
e
lease-4-6
commit
|
commitdiff
|
tree
2012-10-25
Szilá
r
d Pá
l
l
f
i
x false positiv
e
gcc 4
.
7
w
arning in lib
x
drf
commit
|
commitdiff
|
tree
2012-10-24
S
zilár
d
Páll
e
n
ab
l
e GMX_PREF
E
R
_
STATIC
_
LIBS CMake option on Mac OS
X
commit
|
commitdiff
|
tree
2012-07-03
Sz
i
lárd Páll
Merge "Mi
n
or f
o
rmatting and co
n
sist
e
ncy ch
a
n
ge
s
to
.
.
.
commit
|
commitdiff
|
tree
2012-05-25
S
z
ilárd
Pá
l
l
Merge "Fi
x
Clang 3
.
1 compile e
r
ror"
commit
|
commitdiff
|
tree
2012-04-26
Szilárd Páll
Merge
"fixed initial COM
motion removal wit
h
m
u
ltiple
.
.
.
commit
|
commitdiff
|
tree
2012-02-11
Szil
á
rd Páll
Merge cha
n
ges I
f
0c2f9
d
9,Ic2a8ad82 int
o
rele
a
se-4-5
.
.
.
commit
|
commitdiff
|
tree
2012-02-02
Szilárd Páll
Merge "Ap
p
end
al
l
ICC Perfo
r
mance
flags only to Release
.
.
.
commit
|
commitdiff
|
tree
2012-02-02
Szilárd
Páll
Merge
"
M
e
r
ges in threading b
r
anch as
one squashed com
m
i
t
.
.
.
commit
|
commitdiff
|
tree
2011-10-06
Szilárd P
á
ll
Merge "Remo
v
e
d duplica
t
e CMake functi
o
nality" into
.
.
.
commit
|
commitdiff
|
tree