repo.or.cz
/
gromacs.git
/
search
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
log
|
graphiclog1
|
graphiclog2
|
commit
|
commitdiff
|
tree
|
refs
|
edit
|
fork
first
·
prev
·
next
Merge branch release-5-1
2016-02-06
Szilard Pa
l
l
U
s
e cudaLaunchKernel
w
i
t
h
CUDA 7
.
0 and later
commit
|
commitdiff
|
tree
2016-01-05
Szilard Pall
remove duplicate mac
r
os
and enable
Wu
n
def in
CUDA
commit
|
commitdiff
|
tree
2016-01-01
Szilard
P
a
l
l
Fix xlc+CUDA workarou
n
d i
n
gmxM
a
na
g
eNvccConfig
commit
|
commitdiff
|
tree
2015-12-26
Szilard
P
a
ll
Impr
o
v
e
do
c
umentation on
O
pe
n
CL issue with NVIDIA
commit
|
commitdiff
|
tree
2015-12-13
Szila
r
d Pall
OpenCL code c
l
eanup
commit
|
commitdiff
|
tree
2015-11-04
Szi
l
ard Pall
Tweak N
V
ML-r
e
lated
m
essages
commit
|
commitdiff
|
tree
2015-11-02
Szi
l
ard Pall
Fix s
i
gn
a
l
type
commit
|
commitdiff
|
tree
2015-11-01
Szilard
P
all
Fi
x
bug in cycle
s
ubcounter ma
n
a
gement
commit
|
commitdiff
|
tree
2015-10-24
Szila
r
d Pal
l
A
v
oid using
incompatible N
V
ML version
commit
|
commitdiff
|
tree
2015-10-22
Szilard Pall
Quiet FindNVML
commit
|
commitdiff
|
tree
2015-10-15
Szilar
d
Pall
Fix reset error me
s
sage
commit
|
commitdiff
|
tree
2015-09-27
Sz
i
lard
P
all
Tweak the CUD
A
GPU shared me
m
/L1 confi
g
commit
|
commitdiff
|
tree
2015-09-17
Szilard
Pall
Fix brok
e
n OpenCL dete
c
tion
commit
|
commitdiff
|
tree
2015-09-16
Szil
a
r
d Pall
Fix
OpenC
L
b
u
ild
commit
|
commitdiff
|
tree
2015-08-13
Szi
l
ard Pall
ad
d
c
lFlu
s
h t
o
kick of Open
C
L w
o
rk
commit
|
commitdiff
|
tree
2015-07-02
Sz
i
lard
Pall
Fix OpenCL
compilation erro
r
s
.
commit
|
commitdiff
|
tree
2015-06-29
Sz
i
lard Pall
F
i
x
C
UDA inte
r
-stream synchroniza
t
ion iss
u
e
commit
|
commitdiff
|
tree
2015-06-27
Szilard Pall
Fix CUDA architecture dependent
issues
commit
|
commitdiff
|
tree
2015-06-25
Szilard P
a
ll
Add missing macro undef in
CUDA
N
B kernel
commit
|
commitdiff
|
tree
2015-06-21
S
z
i
lard Pall
f
i
x CPU core oversubs
c
ri
p
t
ion detection
commit
|
commitdiff
|
tree
2015-06-17
Szilard P
a
ll
fix mino
r
CUDA NB
kerne
l
performa
n
ce regression
commit
|
commitdiff
|
tree
2015-06-08
Szilar
d
Pall
add
last tw
o
GROMACS
paper citations
commit
|
commitdiff
|
tree
2015-06-06
S
z
ilar
d
Pal
l
Optimize
a
to
m
ic accumulat
i
on
in CUDA N
B
kernel
commit
|
commitdiff
|
tree
2015-05-15
S
zilard
Pall
Assert
the size
o
f
n
on-bonded GPU w
o
rk
u
nits
commit
|
commitdiff
|
tree
2015-05-14
S
z
ilard Pall
M
erge relea
s
e
-
4
-
6 in
t
o
r
e
lease
-
5-0
commit
|
commitdiff
|
tree
2015-05-13
Szilard Pall
Fix auto-d
o
wnloaded
r
egression te
s
t ex
e
cu
t
ion
commit
|
commitdiff
|
tree
2015-01-16
Szilard Pall
Improve and clar
i
f
y
mdrun beh
a
vior
wi
t
h nsteps<
0
commit
|
commitdiff
|
tree
2014-12-10
Szila
r
d Pall
Fi
x
ns
t
ep command line
o
v
e
rride print
commit
|
commitdiff
|
tree
2014-09-30
Szilard
Pall
Fix incorrect LJ cut-off with GP
U
+ PME tuni
n
g
commit
|
commitdiff
|
tree
2014-03-01
S
z
ilard Pa
l
l
Added CUDA LJ-
P
ME nbnxn
kernel
s
commit
|
commitdiff
|
tree
2014-02-28
S
z
ilard
P
all
I
mproved C
U
DA
n
on-bonded kernel performa
n
ce
commit
|
commitdiff
|
tree
2014-02-27
Szilard Pall
CUDA kernels f
o
r
switched LJ
commit
|
commitdiff
|
tree
2014-02-21
S
z
i
lard Pall
portability
a
spects
i
n insta
l
l guid
e
+ mi
n
o
r tweaks
commit
|
commitdiff
|
tree
2013-12-02
Szilard Pa
l
l
rem
o
ve l
e
ga
c
y CUDA non-bonded kernels
commit
|
commitdiff
|
tree
2013-11-13
Szilard Pall
Clarified GPU selec
t
ion output a
n
d
mdrun
help
commit
|
commitdiff
|
tree
2013-11-06
Szilard Pal
l
enabl
e
GPU sharing
a
mong tMPI ranks
commit
|
commitdiff
|
tree
2013-10-15
Szilard Pall
ma
k
e us
e
o
f C
U
DA stream pri
o
rit
i
es
commit
|
commitdiff
|
tree
2013-10-14
S
zilar
d
Pall
use
C
U
DA texture objec
t
s w
h
e
n
supported
commit
|
commitdiff
|
tree
2013-09-29
Sz
i
lard Pall
all
o
w compilati
o
n to opti
m
ize for CUDA compute cap
.
.
.
commit
|
commitdiff
|
tree
2013-06-27
S
zilard Pall
A
dapted
c
lang-
A
MD-FMA wor
k
around for bo
t
h C
a
nd C++
commit
|
commitdiff
|
tree
2013-06-25
Szilar
d
Pa
l
l
ad
d
ed CUDA compiler
fl
a
gs to version head
e
r
commit
|
commitdiff
|
tree
2013-05-30
Szilard Pall
fix
th
r
e
a
d-safety is
s
ue in affinity
l
a
y
out de
t
ecti
o
n
commit
|
commitdiff
|
tree
2013-05-30
Szilard Pa
l
l
add w
o
r
k
a
round for clang
on AMD
w
ith FMA
commit
|
commitdiff
|
tree
2013-05-30
Szila
r
d
P
all
fix thread offset + stride check
commit
|
commitdiff
|
tree
2013-05-27
Szil
a
rd Pa
l
l
minor fun
c
tion
argu
m
e
n
t
cleanup
commit
|
commitdiff
|
tree
2013-04-17
Szilard Pall
CUDA PM
E
k
e
rnels with anal
y
t
ical Ewald c
o
rrection
commit
|
commitdiff
|
tree
2013-01-24
Szil
a
rd Pall
added back
c
uda
.
h in
c
l
udes
to fix missin
g
CUD
A
_VERSION
commit
|
commitdiff
|
tree
2013-01-18
Szilard Pall
re
m
ove
unnecessary cmake mes
s
ages
commit
|
commitdiff
|
tree
2013-01-17
Szilard Pall
don't use polling with new driver
commit
|
commitdiff
|
tree
2013-01-11
Szila
r
d Pa
l
l
time
t
he GPU force clearing async launch overhead
commit
|
commitdiff
|
tree
2013-01-11
Szilard Pall
console and log output improv
e
m
ents
commit
|
commitdiff
|
tree
2013-01-02
Szilard Pall
improved reporti
n
g of failed
affinity
s
etting
commit
|
commitdiff
|
tree
2012-12-20
Szilard Pall
f
i
x incor
r
ect gmx_fatal argument
o
rder
commit
|
commitdiff
|
tree
2012-12-18
S
zilar
d
Pall
issue error if GPU ID is
p
rovi
d
e
d
w
i
th G
P
U acc
.
off
commit
|
commitdiff
|
tree
2012-12-05
S
zilard Pall
don't w
a
rn dur
i
ng con
f
ig
u
ring if no GPUs were found
commit
|
commitdiff
|
tree
2012-12-05
S
zila
r
d P
a
ll
fi
r
st step t
o
w
ard moving OpenMM sup
p
or
t
to contrib
commit
|
commitdiff
|
tree
2012-12-05
Szilard P
a
ll
don't aut
o
-set nvcc ho
s
t compiler
with cma
k
e >2
.
8
.
9
commit
|
commitdiff
|
tree
2012-11-30
Szilard Pall
f
orce C++
linking of
t
he gpu_
u
tils
commit
|
commitdiff
|
tree
2012-11-29
Szil
a
rd P
a
ll
made e
r
rors during GPU
d
e
t
ection non-fatal
commit
|
commitdiff
|
tree
2012-11-29
S
zilard Pall
fix c
m
ak
e
re-running
f
a
i
lure
introduced by ef1127f
commit
|
commitdiff
|
tree
2012-11-29
Szilard Pal
l
a
utom
a
t
i
on for s
e
tt
i
ng GMX_GPU & cmake GPU det
e
ctio
n
commit
|
commitdiff
|
tree
2012-11-29
Szila
r
d Pall
don't print nonbon
d
e
d
k
ernel
info with GMX_
N
O_NONB
O
NDED
commit
|
commitdiff
|
tree
2012-11-28
Sz
i
lard Pall
en
a
ble GPU
emulati
o
n
without GPU support
commit
|
commitdiff
|
tree
2012-11-28
Szi
l
ard P
a
ll
use tMPI API for threa
d
aff
i
nity setting
commit
|
commitdiff
|
tree
2012-11-23
Szila
r
d
Pall
r
e
move
d
g
r
oup non-bo
n
eded call with ve
r
l
et scheme
commit
|
commitdiff
|
tree
2012-11-22
S
zi
l
ar
d
Pall
unset MPI detection left
o
v
e
r cach
e
vari
a
bles
commit
|
commitdiff
|
tree
2012-11-19
Szilard Pall
alw
a
y
s ma
r
k as a
d
v
a
nced lefto
v
e
r FindCUDA variables
commit
|
commitdiff
|
tree
2012-11-09
Sz
i
lard Pall
onl
y
use CPU_
C
OUNT
i
f it's available
commit
|
commitdiff
|
tree
2012-11-09
S
zi
l
ard P
a
ll
also prefe
r
entiate
.
lib
w
ith
G
MX_PREFER_STATIC_LIBS
commit
|
commitdiff
|
tree
2012-11-07
Szilard Pall
a
u
t
o-set nvcc
h
ost compiler with
FindMPI det
e
ct
i
on
commit
|
commitdiff
|
tree
2012-11-07
Szi
l
ard Pall
detec
t
exter
n
all
y
set C
P
U affinity
commit
|
commitdiff
|
tree
2012-11-02
Szilard Pall
don't execute any mpi_info/mpiname in
t
he path
commit
|
commitdiff
|
tree
2012-10-31
Szilard
P
al
l
fix internal/external OpenMP t
h
read affin
i
ty clash
commit
|
commitdiff
|
tree
2012-10-22
Szilard Pall
fix
CU
D
A
n
on-bonded ker
n
e
l
p
o
in
t
er
assignment
commit
|
commitdiff
|
tree
2012-10-02
S
zi
l
ard Pall
a
d
ded Verl
e
t
s
ch
e
me and NxN non-bonded
f
unctionality
commit
|
commitdiff
|
tree
2012-09-03
Szilard
P
all
M
erge branch 'rele
a
se-4-5-patches' into releas
e
-4-6
commit
|
commitdiff
|
tree
2012-06-27
Szilard P
a
ll
fi
x
e
s
typ
o
gmx_omp introduced by 697b
c
dc
commit
|
commitdiff
|
tree
2012-06-25
Szilard Pall
introduce
gmx_omp wra
p
per for the
O
penMP API
commit
|
commitdiff
|
tree
2012-05-22
Szilard Pa
l
l
added exp
l
icit s
q
rtf t
o
t
h
e float version of nor
m
commit
|
commitdiff
|
tree
2012-05-02
Szila
r
d Pa
l
l
removed -finli
n
e
-
fu
n
c
tions from the release gcc f
l
ags
commit
|
commitdiff
|
tree
2012-04-26
Szilard Pall
C
or
r
ect
e
d
f
ourierspac
i
n
g
d
es
c
ri
p
tion
commit
|
commitdiff
|
tree
2012-04-19
Szilard Pa
l
l
compiler
flag
f
ixes
commit
|
commitdiff
|
tree
2012-04-18
Szilard Pall
added miss
i
ng #ifdef around #include "t
h
read_
m
pi
.
h"
commit
|
commitdiff
|
tree
2012-04-15
Szilard Pal
l
enable
c
omm
a
n
d line
o
ption cheking in mdru
n
commit
|
commitdiff
|
tree
2012-03-28
Szilard
Pall
Merge branc
h
'release-4-5-patches' into r
e
lease-4-6
commit
|
commitdiff
|
tree
2012-03-14
Szilard
P
a
ll
fix
e
d appending O
p
enMP
c
ompil
e
r
op
t
ion to flag list
commit
|
commitdiff
|
tree
2012-02-29
Szila
r
d Pall
Merge bra
n
ch 'release-4-5-patches
'
i
nto release-4
-
6
commit
|
commitdiff
|
tree
2012-02-09
S
z
i
l
a
rd
Pall
r
enamed GMX_THREAD
S
t
o
GMX_THREAD_MPI
commit
|
commitdiff
|
tree
2012-02-02
Szilard Pall
f
ix
e
d confusing nonbo
n
ded kernel p
o
inter init
i
aliza
t
ion
commit
|
commitdiff
|
tree
2012-01-17
Szilard
P
all
Fixed timing measurements
.
commit
|
commitdiff
|
tree
2011-04-08
Szi
l
ard Pall
fixed g_tune_pme
t
o
pas
s
co
r
rect
l
y boolean argument
s
.
.
.
commit
|
commitdiff
|
tree
2011-02-23
Szilard P
a
ll
a
dded cmake war
n
ing when th
e
cache generated
on
a
nother
.
.
.
commit
|
commitdiff
|
tree
2011-02-11
Szila
r
d Pall
fixed b
u
ggy dete
c
tion of h
o
stname and time of build
.
.
.
commit
|
commitdiff
|
tree
2010-11-08
Szil
a
rd Pall
Merg
e
bra
n
ch 'r
e
lease-
4
-
5
-patches'
o
f git
.
gromacs
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-11-05
Szi
l
a
r
d
Pall
Merge branch '
r
elease-4-
5
-pat
c
h
es' of gi
t
.
gromacs
.
o
r
g
.
.
.
commit
|
commitdiff
|
tree
2010-11-03
Szila
r
d Pall
now it's possible
t
o r
u
n binaries in the build tree
.
.
.
commit
|
commitdiff
|
tree
2010-10-29
Szilard Pall
Merge branch 'release-4-5-patches
'
of git
.
gromacs
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-10-29
Sz
i
lard Pa
l
l
e
n
able
d
GMX_PREFER_
S
TA
T
I
C
_
L
IBS CMake option for CYGWIN
commit
|
commitdiff
|
tree
2010-10-29
Szil
a
rd
P
all
fixed th
e
default for OpenMM
p
lugin dir l
o
cat
i
on (b
u
g
.
.
.
commit
|
commitdiff
|
tree
2010-10-29
Szila
r
d Pall
fixed make in
s
tall-mdrun issu
e
(
b
u
g
#
605)
commit
|
commitdiff
|
tree
next