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
Bring performance estimation up to date
2015-11-04
Szilard Pall
Tweak N
V
ML-related messages
commit
|
commitdiff
|
tree
2015-11-02
S
z
ilard Pall
Fix
s
ignal typ
e
commit
|
commitdiff
|
tree
2015-10-24
Szilard
P
all
Avoid using
incompatible NVML version
commit
|
commitdiff
|
tree
2015-10-22
Szilard Pall
Quie
t
Fin
d
N
VML
commit
|
commitdiff
|
tree
2015-10-15
Szi
l
ard Pall
F
i
x r
e
set er
r
or mes
s
age
commit
|
commitdiff
|
tree
2015-09-17
Szilard Pall
Fix b
r
oken OpenCL d
e
t
ection
commit
|
commitdiff
|
tree
2015-09-16
Szilard Pall
Fi
x
O
penCL build
commit
|
commitdiff
|
tree
2015-08-13
Sz
i
l
ard
P
all
ad
d
clFlush
t
o kick of OpenCL work
commit
|
commitdiff
|
tree
2015-07-02
Sz
i
lard Pall
Fix
Open
C
L compilation err
o
rs
.
commit
|
commitdiff
|
tree
2015-06-29
S
zila
r
d Pall
Fix CUDA in
t
er-str
e
a
m
synchronization issue
commit
|
commitdiff
|
tree
2015-06-27
Szi
l
ard Pall
Fix CUD
A
architecture d
e
pendent issues
commit
|
commitdiff
|
tree
2015-06-25
Sz
i
lard Pall
Add missi
n
g
m
a
cro
undef in CUDA NB k
e
r
n
el
commit
|
commitdiff
|
tree
2015-06-21
Szi
l
ard Pa
l
l
f
ix CPU cor
e
ov
e
rsubscription det
e
ction
commit
|
commitdiff
|
tree
2015-06-17
Szilard Pall
fix minor CU
D
A NB
k
e
r
nel per
f
ormance
r
egression
commit
|
commitdiff
|
tree
2015-06-08
Sz
i
lard
P
all
add las
t
two GROM
A
CS paper citations
commit
|
commitdiff
|
tree
2015-06-06
S
z
il
a
rd Pall
O
ptim
i
ze atomic
a
c
cumulation in CU
D
A NB kernel
commit
|
commitdiff
|
tree
2015-05-15
Sz
i
la
r
d
P
all
Assert the size of no
n
-bonded GPU
work u
n
i
ts
commit
|
commitdiff
|
tree
2015-05-14
Szilard Pall
Merge rele
a
s
e
-4-6 into release-5-0
commit
|
commitdiff
|
tree
2015-05-13
S
z
ilard
P
a
l
l
Fix auto-dow
n
loaded regression
test executi
o
n
commit
|
commitdiff
|
tree
2015-01-16
Szilard Pall
Improve and
c
l
arif
y
mdrun
behavior with
n
steps<0
commit
|
commitdiff
|
tree
2014-12-10
S
zilard Pall
Fix nstep command line o
v
erride print
commit
|
commitdiff
|
tree
2014-09-30
S
zilard Pall
Fi
x
incorrec
t
LJ cut-off with GPU + PM
E
tuning
commit
|
commitdiff
|
tree
2014-03-01
S
z
ilard
P
all
Adde
d
CUD
A
LJ-PME nbnxn kernels
commit
|
commitdiff
|
tree
2014-02-28
Szilard
Pall
Improved CUDA non-bonded ker
n
el p
e
rforma
n
ce
commit
|
commitdiff
|
tree
2014-02-27
Szil
a
rd Pall
CUDA
kernels for switc
h
e
d
LJ
commit
|
commitdiff
|
tree
2014-02-21
Szilard
P
all
portability aspects in install guide +
minor tweak
s
commit
|
commitdiff
|
tree
2013-12-02
S
zi
l
ard Pall
remove legacy
CU
D
A n
o
n-bonded kernels
commit
|
commitdiff
|
tree
2013-11-13
Szilard
Pall
Clarified GPU sel
e
ction output and mdrun hel
p
commit
|
commitdiff
|
tree
2013-11-06
Szilard Pall
en
a
ble GPU sh
a
ring among tMPI ra
n
ks
commit
|
commitdiff
|
tree
2013-10-15
S
zilard Pall
make use of CUDA strea
m
pri
o
rities
commit
|
commitdiff
|
tree
2013-10-14
S
z
i
lard Pall
use CUDA te
x
t
ure o
b
jects when su
p
port
e
d
commit
|
commitdiff
|
tree
2013-09-29
Szilard Pall
allow compilation to optim
i
z
e
for
C
UDA c
o
mpute cap
.
.
.
commit
|
commitdiff
|
tree
2013-06-27
Szilard Pall
A
d
apted clan
g
-AMD-FMA workar
o
u
n
d
f
or both C and C++
commit
|
commitdiff
|
tree
2013-06-25
Szilard Pall
added CU
D
A
comp
i
ler flags to version header
commit
|
commitdiff
|
tree
2013-05-30
Sz
i
lard Pal
l
f
ix thre
a
d-s
a
fe
t
y issue in af
f
inity layout d
e
tec
t
ion
commit
|
commitdiff
|
tree
2013-05-30
S
z
ilar
d
Pall
add workaround for cla
n
g
on AMD with FMA
commit
|
commitdiff
|
tree
2013-05-30
Szilar
d
Pall
f
i
x thr
e
a
d
offset + stride check
commit
|
commitdiff
|
tree
2013-05-27
Szilard
Pall
minor functio
n
argument c
l
ea
n
up
commit
|
commitdiff
|
tree
2013-04-17
S
zi
l
ar
d
Pall
CUDA PME kernels with analyti
c
al Ewald cor
r
ection
commit
|
commitdiff
|
tree
2013-01-24
Szilard Pall
added ba
c
k cuda
.
h incl
u
de
s
to fix mis
s
i
ng CUDA_
V
ER
S
I
O
N
commit
|
commitdiff
|
tree
2013-01-18
Sz
i
lard
Pall
remo
v
e un
n
ecessary
c
make messages
commit
|
commitdiff
|
tree
2013-01-17
Szilard Pal
l
don't use
po
l
ling
with
n
ew d
r
iver
commit
|
commitdiff
|
tree
2013-01-11
Szil
a
r
d Pall
tim
e
the GPU for
c
e
cle
a
rin
g
async launch overhead
commit
|
commitdiff
|
tree
2013-01-11
Szilard
Pall
c
ons
o
l
e
and log output
improvements
commit
|
commitdiff
|
tree
2013-01-02
Szilard Pall
i
m
proved reporting of faile
d
affinity se
t
ting
commit
|
commitdiff
|
tree
2012-12-20
Szila
r
d Pall
f
ix i
n
correct g
m
x_
f
atal argu
m
e
nt o
r
d
e
r
commit
|
commitdiff
|
tree
2012-12-18
Szila
r
d Pall
issue error if
GPU ID is prov
i
ded with
G
PU acc
.
off
commit
|
commitdiff
|
tree
2012-12-05
Szilard Pall
don't
w
a
r
n during confi
g
uring if n
o
GPUs were found
commit
|
commitdiff
|
tree
2012-12-05
S
z
ilar
d
Pall
first s
t
ep tow
a
rd
movin
g
O
p
e
nMM support to contrib
commit
|
commitdiff
|
tree
2012-12-05
S
z
ilard Pall
d
o
n't aut
o
-set nvcc h
o
st compiler with cm
a
ke
>2
.
8
.
9
commit
|
commitdiff
|
tree
2012-11-30
Szilard P
a
ll
fo
r
ce C++ linking of
the gpu_
u
tils
commit
|
commitdiff
|
tree
2012-11-29
Szil
a
rd Pall
made
e
r
ror
s
during GPU detection
n
on-fa
t
a
l
commit
|
commitdiff
|
tree
2012-11-29
Szi
l
ard Pall
fix cmake re
-
running fa
i
lure intro
d
u
ced by
e
f1127f
commit
|
commitdiff
|
tree
2012-11-29
Sz
i
lard Pall
autom
a
t
ion for setting GMX_GPU
&
c
ma
k
e G
P
U detec
t
ion
commit
|
commitdiff
|
tree
2012-11-29
Szilard Pall
don't print nonbonded kernel info with GMX_
N
O_NONBONDED
commit
|
commitdiff
|
tree
2012-11-28
Szilar
d
Pall
enable
G
P
U emula
t
i
o
n w
i
thout GPU support
commit
|
commitdiff
|
tree
2012-11-28
Szilard P
a
ll
use tMP
I
API
f
or thre
a
d a
f
fini
t
y setting
commit
|
commitdiff
|
tree
2012-11-23
Sz
i
lard
Pall
remove
d
g
roup non
-
bonede
d
cal
l
with verlet schem
e
commit
|
commitdiff
|
tree
2012-11-22
S
zilard Pall
uns
e
t
MPI
detection left
o
ve
r
cac
h
e v
a
r
i
ab
l
es
commit
|
commitdiff
|
tree
2012-11-19
Szila
r
d
P
a
ll
always mark as a
d
vanced leftover FindCUDA
variables
commit
|
commitdiff
|
tree
2012-11-09
Szilard Pall
only
use
CPU_COUNT if it's available
commit
|
commitdiff
|
tree
2012-11-09
Szilard Pall
also preferentiate
.
lib with GMX_
P
REF
E
R
_STATIC_LI
B
S
commit
|
commitdiff
|
tree
2012-11-07
Szil
a
r
d
Pall
au
t
o-set nvc
c
h
o
st c
o
mpiler wi
t
h Fi
n
dM
P
I
d
etect
i
on
commit
|
commitdiff
|
tree
2012-11-07
Szil
a
rd Pall
d
e
te
c
t ex
t
e
r
nally set
C
PU
affinity
commit
|
commitdiff
|
tree
2012-11-02
Szilard Pall
don't execute any
m
p
i
_
info/
m
p
i
name in th
e
p
a
th
commit
|
commitdiff
|
tree
2012-10-31
Sz
i
lard Pall
fix inter
n
al/exte
r
nal OpenMP thre
a
d
affin
i
ty clash
commit
|
commitdiff
|
tree
2012-10-22
Szilard Pall
fix CUDA non
-
bonded kernel pointer ass
i
gnm
e
nt
commit
|
commitdiff
|
tree
2012-10-02
Szi
l
ard
Pall
added Verlet sche
m
e and NxN no
n
-bonded
f
unctionality
commit
|
commitdiff
|
tree
2012-09-03
Szilard Pall
Merge br
a
nc
h
'release
-
4-5-p
a
tches' i
n
t
o
r
elease-4-6
commit
|
commitdiff
|
tree
2012-06-27
Szila
r
d Pall
fixes typo gmx_omp
introduc
e
d by 69
7
b
c
d
c
commit
|
commitdiff
|
tree
2012-06-25
Szi
l
ard
P
all
i
ntrod
u
ce gmx_omp wrap
p
er for th
e
OpenMP A
P
I
commit
|
commitdiff
|
tree
2012-05-22
S
zilard
P
a
ll
added explicit sq
r
tf to the
f
loat version of nor
m
commit
|
commitdiff
|
tree
2012-05-02
Szi
l
a
r
d Pall
remove
d
-finline-fun
c
tions f
r
om
t
he
relea
s
e g
c
c flags
commit
|
commitdiff
|
tree
2012-04-26
Szi
l
ard Pall
Cor
r
ec
t
ed
f
ourierspa
c
ing
d
es
c
ription
commit
|
commitdiff
|
tree
2012-04-19
Szil
a
rd Pall
c
o
mpiler flag fixes
commit
|
commitdiff
|
tree
2012-04-18
Szilard P
a
l
l
add
e
d missing #ifdef around
#
include "t
h
r
ead_
m
p
i
.
h"
commit
|
commitdiff
|
tree
2012-04-15
Szilard Pal
l
enable comman
d
line option ch
e
king in
m
dr
u
n
commit
|
commitdiff
|
tree
2012-03-28
Szilard Pall
Merge
b
ranch 'rel
e
ase-4-5-pat
c
h
e
s' int
o
rel
e
ase-
4
-6
commit
|
commitdiff
|
tree
2012-03-14
Szi
l
ar
d
Pal
l
fixed
ap
p
e
n
d
ing
Open
M
P
co
m
piler option
to
f
lag list
commit
|
commitdiff
|
tree
2012-02-29
Szilard P
a
ll
M
erge branch 're
l
ease-4-5-patches'
into release-4-6
commit
|
commitdiff
|
tree
2012-02-09
Szilard Pall
r
enam
e
d GMX_THREADS to GMX_
T
HREAD_MPI
commit
|
commitdiff
|
tree
2012-02-02
Szila
r
d Pall
fixed con
f
using nonbonded kernel
p
ointer
i
nitialization
commit
|
commitdiff
|
tree
2012-01-17
S
z
ilard Pall
Fixed timing measu
r
e
ments
.
commit
|
commitdiff
|
tree
2011-04-08
Szilard
Pall
f
i
x
e
d g_
t
u
n
e_p
m
e to
pass c
o
r
re
c
t
ly boolean arg
u
m
e
nts
.
.
.
commit
|
commitdiff
|
tree
2011-02-23
Szil
a
rd Pall
added cma
k
e war
n
i
ng when th
e
cache
g
e
n
erated on an
o
ther
.
.
.
commit
|
commitdiff
|
tree
2011-02-11
Sz
i
lard
P
all
f
ixed bug
g
y detection of h
o
stname and time of build
.
.
.
commit
|
commitdiff
|
tree
2010-11-08
Szil
a
rd Pall
Me
r
g
e branch 'release-4-5-patc
h
es
'
of g
i
t
.
grom
a
cs
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-11-05
Szilard Pall
Me
r
ge branc
h
'release-4-5-patc
h
e
s' of g
i
t
.
gromacs
.
o
rg
.
.
.
commit
|
commitdiff
|
tree
2010-11-03
Szilard Pall
now it's
p
o
ssibl
e
t
o run binaries in the build t
r
e
e
.
.
.
commit
|
commitdiff
|
tree
2010-10-29
Szi
l
ar
d
Pa
l
l
Merge branch 'release-4-5-patche
s
'
of git
.
groma
c
s
.
org
.
.
.
commit
|
commitdiff
|
tree
2010-10-29
Szilard P
a
ll
e
nable
d
GMX_PREFER_STATIC_LIBS CMake option for
CYGWIN
commit
|
commitdiff
|
tree
2010-10-29
Szilard Pall
fix
e
d t
h
e
default for Open
M
M plugin dir lo
c
ation
(b
u
g
.
.
.
commit
|
commitdiff
|
tree
2010-10-29
S
zilar
d
Pall
fixed
m
a
k
e
install-md
r
un issue (bug
#605)
commit
|
commitdiff
|
tree
2010-10-29
Szilard Pall
(re)add
e
d
"-dev" suffix
f
or the CMake ha
r
dcoded
v
ersion
.
.
.
commit
|
commitdiff
|
tree
2010-10-29
Szilar
d
Pall
added CMake option GMX_PREFER_STATIC_LIBS
(
also
fi
x
e
s
.
.
.
commit
|
commitdiff
|
tree
2010-10-06
Szilard Pall
fixed syntax error from
commit bd5b272
4
commit
|
commitdiff
|
tree
2010-10-05
Szilard P
a
ll
improved op
t
i
o
n
compatibility
chec
k
ing
w
i
th
OpenM
M
commit
|
commitdiff
|
tree
2010-10-05
Szilard Pall
improved op
t
ion comp
a
tibilit
y
ch
e
ck
i
ng with Op
e
n
MM
commit
|
commitdiff
|
tree
2010-10-05
Szilard
P
all
Merge branch 'master'
o
f git
.
gromacs
.
org:gromacs
commit
|
commitdiff
|
tree
2010-10-01
Szilard Pall
make ins
t
all-
m
d
r
un now
i
nstalles shared libs
(
fix fo
r
.
.
.
commit
|
commitdiff
|
tree
next