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Make PME GPU structures use DeviceBuffer
2016-03-31
S
z
ilard
P
all
av
o
id CPU oversubs
c
rip
t
ion with GPUs
commit
|
commitdiff
|
tree
2016-02-06
Szilard Pall
U
s
e c
u
daLaunchK
e
rnel with C
U
DA 7
.
0 and later
commit
|
commitdiff
|
tree
2016-01-05
Szilard Pall
re
m
ove duplicate ma
c
ros and
ena
b
le Wund
e
f
i
n
C
UDA
commit
|
commitdiff
|
tree
2016-01-01
Szilard
Pall
Fix xlc
+
CUDA workarou
n
d in gmxManage
N
vccConfig
commit
|
commitdiff
|
tree
2015-12-26
Szilard Pall
Improve
docume
n
tation
o
n OpenCL issue with NVIDIA
commit
|
commitdiff
|
tree
2015-12-13
Szilard Pall
O
penCL
c
ode
c
leanup
commit
|
commitdiff
|
tree
2015-11-04
Szil
a
rd Pall
Tweak NVML-related mes
s
a
ges
commit
|
commitdiff
|
tree
2015-11-02
Sz
i
lard Pall
Fix signa
l
ty
p
e
commit
|
commitdiff
|
tree
2015-11-01
Szilard
Pall
Fix bug in
cycle subcounter management
commit
|
commitdiff
|
tree
2015-10-24
S
z
ilard Pal
l
Avoid using i
n
co
m
patible NVML
v
e
rs
i
o
n
commit
|
commitdiff
|
tree
2015-10-22
Szilard Pall
Quie
t
FindNV
M
L
commit
|
commitdiff
|
tree
2015-10-15
Szilard
P
al
l
Fix
r
eset
e
r
r
or message
commit
|
commitdiff
|
tree
2015-09-27
Szilard P
a
ll
Tweak
t
he CUDA
G
PU shared mem/L
1
config
commit
|
commitdiff
|
tree
2015-09-17
Szilar
d
P
all
Fi
x
broken Ope
n
CL dete
c
tion
commit
|
commitdiff
|
tree
2015-09-16
Szilard Pall
Fix Op
e
nCL bu
i
ld
commit
|
commitdiff
|
tree
2015-08-13
Szilard P
a
l
l
add clFlush to
k
ick
of OpenC
L
work
commit
|
commitdiff
|
tree
2015-07-02
Sz
i
lard Pall
Fix O
p
e
nCL compilation
error
s
.
commit
|
commitdiff
|
tree
2015-06-29
Szil
a
rd Pa
l
l
Fix CUDA inter-stream synch
r
onization
i
ssue
commit
|
commitdiff
|
tree
2015-06-27
Szilard P
a
ll
Fix CUD
A
arch
i
t
ecture d
e
pendent issues
commit
|
commitdiff
|
tree
2015-06-25
Szilard Pa
l
l
Add
missing macro un
d
ef i
n
C
U
D
A
NB kernel
commit
|
commitdiff
|
tree
2015-06-21
Szila
r
d
P
all
fix CPU core oversubscription det
e
ction
commit
|
commitdiff
|
tree
2015-06-17
Szilar
d
Pall
fix m
i
nor CUDA NB kernel per
f
ormanc
e
regress
i
on
commit
|
commitdiff
|
tree
2015-06-08
Szilard Pa
l
l
a
d
d
last two GROMACS pape
r
citations
commit
|
commitdiff
|
tree
2015-06-06
Szila
r
d Pall
O
ptimize atomi
c
a
c
cumul
a
ti
o
n in CUDA NB kernel
commit
|
commitdiff
|
tree
2015-05-15
Szilar
d
P
a
ll
Assert
the size of non-bon
d
ed GPU wo
r
k
units
commit
|
commitdiff
|
tree
2015-05-14
Sz
i
lard Pall
M
erge
r
elea
s
e-4-6 into
r
e
le
a
se
-
5-0
commit
|
commitdiff
|
tree
2015-05-13
Szi
l
ard Pall
Fix a
u
to-downloaded regr
e
ssion te
s
t
execut
i
on
commit
|
commitdiff
|
tree
2015-01-16
Szil
a
rd Pall
Impro
v
e and clarify
m
d
run beh
a
vior w
i
th nsteps<0
commit
|
commitdiff
|
tree
2014-12-10
Szilard Pal
l
F
ix nstep com
m
a
nd line override pri
n
t
commit
|
commitdiff
|
tree
2014-09-30
S
zila
r
d Pall
Fix
in
c
orrect LJ cut-off with
GPU + PME
tuning
commit
|
commitdiff
|
tree
2014-03-01
Szilard Pall
Ad
d
ed CUDA LJ-PME nbnxn kernels
commit
|
commitdiff
|
tree
2014-02-28
Szilard
P
all
I
mproved CUDA non-bonded
kernel
performa
n
ce
commit
|
commitdiff
|
tree
2014-02-27
Szilard Pall
CUDA ke
r
nels f
o
r switched LJ
commit
|
commitdiff
|
tree
2014-02-21
Szila
r
d Pall
po
r
tability aspects in install guide + mino
r
tw
e
a
k
s
commit
|
commitdiff
|
tree
2013-12-02
Szilard
P
al
l
rem
o
ve legacy CUDA non-bonded kernels
commit
|
commitdiff
|
tree
2013-11-13
S
zilar
d
Pall
C
larifi
e
d GPU selec
t
ion out
p
u
t and mdrun
h
e
lp
commit
|
commitdiff
|
tree
2013-11-06
Szila
r
d P
a
ll
en
a
ble GPU sharin
g
among
tMPI ra
n
ks
commit
|
commitdiff
|
tree
2013-10-15
Sz
i
lard Pall
make use
of CUDA st
r
eam priorities
commit
|
commitdiff
|
tree
2013-10-14
Szilar
d
Pall
use
CUDA texture ob
j
ects
w
hen suppo
r
ted
commit
|
commitdiff
|
tree
2013-09-29
S
zilar
d
Pall
allow compilation to optim
i
ze for CUDA
compute cap
.
.
.
commit
|
commitdiff
|
tree
2013-06-27
Szilard Pa
l
l
A
dapted clang-AMD-FMA work
a
round
for both C an
d
C++
commit
|
commitdiff
|
tree
2013-06-25
S
zilard Pall
added CUDA
compi
l
er flags to version
header
commit
|
commitdiff
|
tree
2013-05-30
Szilard Pal
l
fix t
h
read-safet
y
issue
in affinit
y
layout detection
commit
|
commitdiff
|
tree
2013-05-30
Szil
a
r
d Pall
a
dd workaroun
d
f
or clang o
n
AMD w
i
th FMA
commit
|
commitdiff
|
tree
2013-05-30
Szi
l
ard Pall
fix threa
d
o
ff
s
et
+
st
r
ide check
commit
|
commitdiff
|
tree
2013-05-27
Szilard Pal
l
min
o
r
f
unction arg
u
ment cleanu
p
commit
|
commitdiff
|
tree
2013-04-17
Szi
l
ard Pall
C
UDA PM
E
k
e
r
nels with
analytical E
w
ald co
r
rection
commit
|
commitdiff
|
tree
2013-01-24
S
z
ilar
d
Pall
added b
a
ck c
u
d
a
.
h includes
t
o
fix missing CUDA_VERSION
commit
|
commitdiff
|
tree
2013-01-18
S
z
ilard Pall
r
e
move unnecessary c
m
ake messages
commit
|
commitdiff
|
tree
2013-01-17
Szilar
d
P
a
l
l
don't use polling with new driver
commit
|
commitdiff
|
tree
2013-01-11
S
z
i
l
ard Pal
l
time the
GPU force clearing
a
sync la
u
nch overhead
commit
|
commitdiff
|
tree
2013-01-11
Sz
i
lar
d
Pa
l
l
con
s
o
le and log out
p
ut improvements
commit
|
commitdiff
|
tree
2013-01-02
S
zilard
Pall
im
p
rov
e
d repo
r
ting of fail
e
d affi
n
ity
settin
g
commit
|
commitdiff
|
tree
2012-12-20
Szilard
P
all
fix incorrect gmx_fatal argument order
commit
|
commitdiff
|
tree
2012-12-18
Sz
i
lard
P
all
i
s
sue
e
r
ro
r
if GPU ID is
provi
d
ed with GPU acc
.
off
commit
|
commitdiff
|
tree
2012-12-05
S
zilard Pa
l
l
d
o
n
'
t
w
a
r
n during config
u
ring i
f
no GPUs were
f
o
und
commit
|
commitdiff
|
tree
2012-12-05
Szilard Pall
first step toward m
o
vin
g
O
penMM support to contrib
commit
|
commitdiff
|
tree
2012-12-05
Szi
l
ard Pall
do
n
't auto-
s
et nvcc host compil
e
r wi
t
h
c
make >2
.
8
.
9
commit
|
commitdiff
|
tree
2012-11-30
S
z
ilard Pall
force C++ linking of the gpu_utils
commit
|
commitdiff
|
tree
2012-11-29
Szilard Pall
made
errors du
r
i
n
g GP
U
detecti
o
n non-
f
a
t
al
commit
|
commitdiff
|
tree
2012-11-29
Sz
i
lard Pa
l
l
fix cm
a
ke
r
e-
r
unning failure in
t
roduced by ef1127f
commit
|
commitdiff
|
tree
2012-11-29
Szi
l
ard Pall
a
u
tomation for se
t
ting GMX_
G
PU
&
cmake GPU detection
commit
|
commitdiff
|
tree
2012-11-29
Szila
r
d
P
all
don't pr
i
nt
nonbonde
d
ke
r
n
e
l info with GMX_NO_N
O
NBONDED
commit
|
commitdiff
|
tree
2012-11-28
Szila
r
d
Pall
enable
GPU
emulation without
G
P
U
support
commit
|
commitdiff
|
tree
2012-11-28
Szil
a
rd Pall
use tMPI API
f
or thread affinity setting
commit
|
commitdiff
|
tree
2012-11-23
Szilard Pall
r
e
moved group
n
on-
b
oneded call wit
h
verlet
scheme
commit
|
commitdiff
|
tree
2012-11-22
Szilard Pall
unset MP
I
detection
l
eftove
r
cache var
i
ables
commit
|
commitdiff
|
tree
2012-11-19
Szilard Pall
always mar
k
as adv
a
nced
l
e
f
tover
FindCUDA variables
commit
|
commitdiff
|
tree
2012-11-09
Szilard
P
all
only use CPU_COUNT if
it's ava
i
lable
commit
|
commitdiff
|
tree
2012-11-09
Szilard Pal
l
als
o
preferen
t
iate
.
lib with
GMX_PREFE
R
_ST
A
TIC_L
I
BS
commit
|
commitdiff
|
tree
2012-11-07
S
z
ilard Pa
l
l
a
u
t
o-set nvcc
host c
o
m
pi
l
e
r with Fi
n
dMPI detecti
o
n
commit
|
commitdiff
|
tree
2012-11-07
Szilard Pall
detect externally
s
et CPU
aff
i
nity
commit
|
commitdiff
|
tree
2012-11-02
Szilard Pall
don'
t
e
x
ecute any
m
pi_info/mpiname in the p
a
th
commit
|
commitdiff
|
tree
2012-10-31
Szilard
P
all
fix internal/external OpenMP thr
e
ad a
f
f
i
nity
c
l
a
sh
commit
|
commitdiff
|
tree
2012-10-22
Szilard Pall
fix C
U
DA non-bon
d
ed kernel
pointer a
s
s
i
gn
m
ent
commit
|
commitdiff
|
tree
2012-10-02
S
z
ilard
P
all
added Verl
e
t scheme and NxN
n
on-
b
on
d
ed functiona
l
it
y
commit
|
commitdiff
|
tree
2012-09-03
Szilard
P
all
M
e
r
ge branc
h
'release-4-5-patches' into release-4-6
commit
|
commitdiff
|
tree
2012-06-27
Szilard Pall
fixes
t
ypo gmx_
o
mp int
r
oduced by 697bcdc
commit
|
commitdiff
|
tree
2012-06-25
Szilard Pall
introduce
gmx_omp wrapper for
t
he
Ope
n
MP A
P
I
commit
|
commitdiff
|
tree
2012-05-22
S
z
ilard Pall
add
e
d exp
l
icit sqrtf to
t
h
e
f
l
o
at
v
e
rsion of
nor
m
commit
|
commitdiff
|
tree
2012-05-02
Sz
i
lard Pall
r
emoved -
f
inline-functions from the r
e
l
e
ase
g
cc f
l
ags
commit
|
commitdiff
|
tree
2012-04-26
Szilard Pall
Corrected f
o
urierspacing desc
r
ipt
i
on
commit
|
commitdiff
|
tree
2012-04-19
S
z
ilard Pall
compiler
f
l
ag fixes
commit
|
commitdiff
|
tree
2012-04-18
Szilard Pall
added missing #
i
fdef
a
r
ound #include "thread_mpi
.
h"
commit
|
commitdiff
|
tree
2012-04-15
Szilard Pall
e
nable
c
ommand
l
ine
opti
o
n cheking
i
n
m
drun
commit
|
commitdiff
|
tree
2012-03-28
Szil
a
rd Pall
Merge bra
n
ch '
r
e
lease-
4
-5-patches' into rele
a
se-4-6
commit
|
commitdiff
|
tree
2012-03-14
Szilard Pall
fix
e
d a
p
pending OpenMP compiler op
t
ion to fl
a
g l
i
st
commit
|
commitdiff
|
tree
2012-02-29
Szil
a
rd Pa
l
l
Merge branch 'release-4-5-
p
atches' into release-4-6
commit
|
commitdiff
|
tree
2012-02-09
Szilard Pall
rena
m
ed
G
MX_TH
R
E
ADS to GM
X
_THRE
A
D_MPI
commit
|
commitdiff
|
tree
2012-02-02
S
zilard P
a
ll
fixed
confusing non
b
o
n
ded kernel poin
t
e
r
initia
l
ization
commit
|
commitdiff
|
tree
2012-01-17
Szilard Pall
Fixed timing measurements
.
commit
|
commitdiff
|
tree
2011-04-08
Szilar
d
Pall
fixed g_tune_pme to p
a
ss
c
orre
c
tly boolean argum
e
nts
.
.
.
commit
|
commitdiff
|
tree
2011-02-23
S
z
ilard P
a
ll
a
dded cmake warning when the c
a
che ge
n
erated on another
.
.
.
commit
|
commitdiff
|
tree
2011-02-11
Szilar
d
P
all
fixed buggy detection of host
n
ame and
t
ime
o
f build
.
.
.
commit
|
commitdiff
|
tree
2010-11-08
Szilard Pa
l
l
Merge
b
ranch
'release-4-5-patches' of git
.
gromacs
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-11-05
S
z
ilard Pall
Me
r
ge
bran
c
h
'
release-4-5-patches' o
f
git
.
grom
a
cs
.
o
rg
.
.
.
commit
|
commitdiff
|
tree
2010-11-03
Sz
i
lar
d
Pall
now it's possible to run binaries in t
h
e buil
d
tr
e
e
.
.
.
commit
|
commitdiff
|
tree
2010-10-29
Szi
l
a
r
d Pa
l
l
Merge
branch
'
r
eleas
e
-4-5-
p
atche
s
' of git
.
gromacs
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-10-29
S
z
ilard
P
a
l
l
enabl
e
d GMX_PREFER_STATIC_LIBS CMake option for
CYGWIN
commit
|
commitdiff
|
tree
2010-10-29
Szilard Pall
fixed the default
f
or Op
e
nMM plugin dir loc
a
tion (bug
.
.
.
commit
|
commitdiff
|
tree
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