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 "Minor fixes to Verlet kernels" into release-4-6
2013-02-15
Mark Abraham
Merge "Minor fixes to Ve
r
let kernels" into release-4-6
commit
|
commitdiff
|
tree
2013-02-15
Mark Abraham
M
erg
e
"
imp
r
o
ved PME load balancing repo
r
ting" into
.
.
.
commit
|
commitdiff
|
tree
2013-02-15
Mark Ab
r
aham
Merge "Re-generated group
ke
r
nels"
into
r
eleas
e
-4-6
commit
|
commitdiff
|
tree
2013-02-15
Ma
r
k Ab
r
aham
Mer
g
e "Unwinds flag depend
e
nc
i
e
s
in g_order
.
" into
.
.
.
commit
|
commitdiff
|
tree
2013-02-15
Mark Abraham
Merge
"
use
lega
c
y CU
D
A
non-bonded kernels only on Fermi
.
.
.
commit
|
commitdiff
|
tree
2013-02-15
Mark Abraham
Merge "More
d
escri
p
ti
v
e Verle
t
ke
r
nel
m
ac
r
o p
a
rameter
.
.
.
commit
|
commitdiff
|
tree
2013-02-15
Mark A
b
r
a
h
am
M
in
o
r
f
i
xes
to Verle
t
kernel
s
commit
|
commitdiff
|
tree
2013-02-15
Mar
k
Ab
r
a
ham
M
erge "F
i
x and
ad
d
Verlet kernel error messa
g
es" into
.
.
.
commit
|
commitdiff
|
tree
2013-02-13
Mark Abr
a
ham
F
i
x code b
u
g wit
h
thread-MPI
o
n
Pow
e
rPC with
xlc
commit
|
commitdiff
|
tree
2013-02-13
Ma
r
k
A
bra
h
am
More descri
p
tive
V
e
rlet kerne
l
ma
c
ro parameter names
commit
|
commitdiff
|
tree
2013-02-13
Mark A
b
raham
F
ix and
add Verlet kerne
l
e
r
r
or messages
commit
|
commitdiff
|
tree
2013-02-13
Ma
r
k A
b
raham
Re-gen
e
rated
gr
o
u
p kernels
commit
|
commitdiff
|
tree
2013-02-12
Mark Ab
r
aham
Merge "PME-o
n
ly counters are now
r
eset with -max
h
.
.
.
commit
|
commitdiff
|
tree
2013-02-12
Mark Ab
r
aham
Merge
"
fixe
d
b
ug wit
h
sd integrator and
O
penMP threading
.
.
.
commit
|
commitdiff
|
tree
2013-02-12
M
ar
k
Ab
r
aham
Merge "Fix
CUDA_HOST_COMPI
L
ER fl
a
g
n
ame"
in
t
o rele
a
se-4
-
6
commit
|
commitdiff
|
tree
2013-02-09
Mark Abraham
Typo f
i
x
commit
|
commitdiff
|
tree
2013-02-08
Mark A
b
rah
a
m
M
e
r
g
e "added back cuda
.
h
inclu
d
es to fix missin
g
CUDA_VERSIO
.
.
.
commit
|
commitdiff
|
tree
2013-02-08
Mark Abraham
Merge
"
Fix
e
d flop counting for gene
r
ic cg/adress kernels
.
.
.
commit
|
commitdiff
|
tree
2013-02-08
Mark Abraham
M
erge "cmake: fixed typo in t
e
m
p
late CMakeLists
.
txt
.
.
.
commit
|
commitdiff
|
tree
2013-02-05
Mark A
b
raham
Merge
"
i
m
pr
o
ved load balancin
g
on
t
he GPU"
i
n
to
release-4-6
commit
|
commitdiff
|
tree
2013-02-05
Ma
r
k Abraham
Documented what GMX_CPU_ACC
E
LERAT
I
ON really
m
eans
commit
|
commitdiff
|
tree
2013-01-22
Mar
k
Abraha
m
M
e
rg
e
"Ill
e
gal acceleration default
e
d to QPX" into
.
.
.
commit
|
commitdiff
|
tree
2013-01-22
Mark
A
br
a
ham
M
er
g
e "Re-licenced
FindGR
O
MA
C
S
.
cmake (was written by
.
.
.
commit
|
commitdiff
|
tree
2013-01-22
Mark Abraham
Merge "Fix TOUPPER us
a
ge" int
o
release-
4
-6
commit
|
commitdiff
|
tree
2013-01-22
M
ar
k
Abrah
a
m
Merge
"Updat
e
d html manual to 4
.
6"
into release-4-6
commit
|
commitdiff
|
tree
2013-01-22
Mark
A
braham
M
erge "ad
d
ed missin
g
cleanup o
f
some nbnxn_cuda data
.
.
.
commit
|
commitdiff
|
tree
2013-01-18
Mark
A
braha
m
S
et v
e
r
s
i
o
n
info for 4
.
6
.
x
r
eleas
e
ser
i
es
commit
|
commitdiff
|
tree
2013-01-18
Mark
Abraham
New major rel
e
ase: 4
.
6
commit
|
commitdiff
|
tree
2013-01-18
Mark Abraham
F
i
x
i
n
g cop
y
right issues an
d
code contributors
Added
Mark Abraham
, Christoph Junghans and
commit
|
commitdiff
|
tree
2013-01-17
Mar
k
Abraham
U
pdating
t
he shel
l
co
m
pletio
n
fi
l
es
commit
|
commitdiff
|
tree
2013-01-17
Mark Abraham
Gromacs install guid
e
updates
.
commit
|
commitdiff
|
tree
2013-01-17
Mark Abr
a
ham
Me
r
ge "Remove unne
c
essar
y
ICC flags affecting performan
c
e
.
.
.
commit
|
commitdiff
|
tree
2013-01-17
Mark Abrah
a
m
Merge "improved CUDA
kern
e
l p
e
r
fo
r
mance by pre-loading
.
.
.
commit
|
commitdiff
|
tree
2013-01-17
Mark Abraham
Me
r
ge
"
Fix trjconv -sub
w
i
th
.
t
r
r files" into release
.
.
.
commit
|
commitdiff
|
tree
2013-01-17
M
a
r
k
A
braham
BlueGen
e
/Q installation note
s
commit
|
commitdiff
|
tree
2013-01-17
Mark
Abra
h
am
Merge branc
h
'releas
e
-4-5-patche
s
' into release-4-6
commit
|
commitdiff
|
tree
2013-01-17
Mar
k
Abraham
Merge "Added mdp op
t
ion 'calc
-
lambda-neighbors'
.
" into
.
.
.
commit
|
commitdiff
|
tree
2013-01-17
M
a
rk Abr
a
ham
F
i
x t
r
jconv
-
sub with
.
t
rr files
commit
|
commitdiff
|
tree
2013-01-17
Mark Abraha
m
Fina
l
ly
move
O
pe
n
MM to con
t
rib
commit
|
commitdiff
|
tree
2013-01-16
Mar
k
Abraham
Quiet
s
td
e
rr output
,
p
artic
u
larly for mu
l
ti-simulations
commit
|
commitdiff
|
tree
2013-01-15
M
a
r
k
Abraham
A
d
d
e
d c
h
eck fo
r
valid wall_ato
m
type in
.
mdp
commit
|
commitdiff
|
tree
2013-01-15
M
ark A
b
raham
Me
r
ge "H
i
d
nbnxn ke
r
nel names behin
d
a look
u
p
fu
n
ction
.
.
.
commit
|
commitdiff
|
tree
2013-01-15
Ma
r
k Abraham
Velocity-ver
l
et integrators
a
nd v-rescale are
broken
commit
|
commitdiff
|
tree
2013-01-14
Mark Abraham
Added fa
t
al error
f
or cons
t
raints + L-BFG
S
mini
m
izer
commit
|
commitdiff
|
tree
2013-01-14
Mark
A
b
r
a
h
am
Hid nbnxn kerne
l
names behin
d
a lookup functio
n
commit
|
commitdiff
|
tree
2013-01-13
Mark A
b
raham
Updated
code c
h
ecks with
d
istance restr
a
i
n
ts
commit
|
commitdiff
|
tree
2013-01-13
Mark Abraham
Fixing trjco
n
v -sub
commit
|
commitdiff
|
tree
2013-01-13
Mark Abra
h
am
Notin
g
tha
t
and why gmxdump -s -sys is broken
commit
|
commitdiff
|
tree
2013-01-13
Mark Ab
r
aha
m
Clarifi
e
d
some
c
o
m
me
n
ts & warnings about
t
hread pinning
commit
|
commitdiff
|
tree
2013-01-13
Mark
Abraham
Manag
e
BlueGene/Q configuration
commit
|
commitdiff
|
tree
2013-01-13
Mark Abr
a
ham
Re-organiz
e
B
l
ue
G
ene
toolchain files
commit
|
commitdiff
|
tree
2013-01-13
Mar
k
Abrah
a
m
Changed defaults for
b
uilding sha
r
e
d l
i
braries
commit
|
commitdiff
|
tree
2013-01-13
M
ark Abraham
Merge "Added
b
as
i
c CPU topolo
g
y in
f
o
r
mation
t
o
cpuid
.
.
.
commit
|
commitdiff
|
tree
2013-01-10
M
a
rk Abraham
Merg
e
"
R
eve
r
t d
e
f
ault rlist
/
rv
d
w/rcoulomb to valid
.
.
.
commit
|
commitdiff
|
tree
2013-01-10
Mark A
b
raham
Merge "fixed b
u
g
with Ve
r
let + DD + bonded
atom commu
n
ica
t
io
.
.
.
commit
|
commitdiff
|
tree
2013-01-10
M
a
r
k Abraham
Merge "Fixes SSE/AVX compilation und
e
r Windows" into
.
.
.
commit
|
commitdiff
|
tree
2013-01-07
Mark Abr
a
ham
R
e
d
uce use
of
monol
i
thic set
s
o
f
c
o
mpiler flags
commit
|
commitdiff
|
tree
2013-01-04
Mark
A
brah
a
m
S
et CMake module
search pa
t
h a
t
a better time
commit
|
commitdiff
|
tree
2012-12-22
Mark Abra
h
am
Ne
w
bet
a
releas
e
: 4
.
6-beta
3
commit
|
commitdiff
|
tree
2012-12-19
Mark Abraham
Merge "Rem
o
v
e th
e
rest of the for
t
ran/power6 acc
e
leration
.
.
.
commit
|
commitdiff
|
tree
2012-12-19
Mark Abra
h
am
Merge "Always build template program" into re
l
e
a
se-4-6
commit
|
commitdiff
|
tree
2012-12-19
Mark
A
braham
Fix Referenc
e
build
t
yp
e
commit
|
commitdiff
|
tree
2012-12-19
M
a
rk
A
braham
Removed
or
p
h
an
f
ile
commit
|
commitdiff
|
tree
2012-12-19
Mark
Abraham
Avoid
using
u
ndefine
d
C
Make
v
ariabl
e
s
commit
|
commitdiff
|
tree
2012-12-13
Mar
k
Ab
r
ah
a
m
Fix typo
commit
|
commitdiff
|
tree
2012-12-06
Mark Abra
h
am
Ne
w
beta
r
elease
:
4
.
6
-
b
et
a
2
commit
|
commitdiff
|
tree
2012-12-06
Mark Ab
r
aham
Apply LGPL license
t
o new
files
commit
|
commitdiff
|
tree
2012-12-06
M
ark
A
braham
Upd
a
t
e
s for
i
nstall guide
commit
|
commitdiff
|
tree
2012-12-06
Mar
k
Abrah
a
m
Eliminate
c
onfusion
from
p
kg
c
onfig FF
T
W detection
commit
|
commitdiff
|
tree
2012-12-05
Mark Abraham
Merge "don't auto-set nvc
c
ho
s
t com
p
iler with cma
k
e
.
.
.
commit
|
commitdiff
|
tree
2012-12-05
M
a
rk Ab
r
aham
M
erge "Keep FindCUDA q
u
iet when
i
t i
s
not use
f
ul" in
t
o
.
.
.
commit
|
commitdiff
|
tree
2012-12-05
Ma
r
k Abraham
Merge "Remove
T
E
ST_TMPI_ATOMICS_ONLY" in
t
o release-4-6
commit
|
commitdiff
|
tree
2012-12-05
Mar
k
A
b
r
aham
Merge "Re
-
ap
p
ly -dev version
n
a
me between beta 1 and
.
.
.
commit
|
commitdiff
|
tree
2012-12-05
Mark Abraha
m
Merge "Fixed
l
a
belling of g
_
hbond plots" into release-4
-
6
commit
|
commitdiff
|
tree
2012-12-05
M
ark A
b
r
a
ham
Re-a
p
p
ly -dev versi
o
n
n
ame betwe
e
n beta
1 and beta
2
commit
|
commitdiff
|
tree
2012-12-05
Mar
k
A
b
raham
Keep Find
C
UDA quiet when it
is not useful
commit
|
commitdiff
|
tree
2012-11-29
Mark Abraham
Update copyright statem
e
n
t
s and change
l
icense
t
o
LG
P
L
commit
|
commitdiff
|
tree
2012-11-29
Mark Abr
a
h
a
m
Merge
"Initial
c
ommit
of
new instal
l
gu
i
d
e
"
into release
-
4-6
commit
|
commitdiff
|
tree
2012-11-29
Mark Abraham
Merge
"
Bump
versi
o
n
to 4
.
6-beta1" into release-4-6
commit
|
commitdiff
|
tree
2012-11-29
Mark
A
brah
a
m
Initial commit
of n
e
w
ins
t
a
ll guide
commit
|
commitdiff
|
tree
2012-11-29
Mark Abraham
B
u
mp
version to
4
.
6-b
e
ta1
commit
|
commitdiff
|
tree
2012-11-29
Mark Abraham
Merge "Added
.
gitignore for ke
r
n
el
g
eneration
"
into
.
.
.
commit
|
commitdiff
|
tree
2012-11-29
Mark Abraham
Merge "Doub
l
e prec
i
s
i
o
n AVX-256 k
e
r
nels" in
t
o release-4-6
commit
|
commitdiff
|
tree
2012-11-29
Mark Abraham
Add
e
d
.
gitignore for
k
ern
e
l gener
a
tio
n
commit
|
commitdiff
|
tree
2012-11-29
M
ark
A
brah
a
m
Merge "Fixing
issue with GPU detectio
n
r
e
p
orting" i
n
t
o
.
.
.
commit
|
commitdiff
|
tree
2012-11-29
Mark
A
braham
Merge "D
o
uble precision
AVX_1
2
8_FM
A
kernels" into r
e
l
e
a
s
e-
4
-6
commit
|
commitdiff
|
tree
2012-11-29
M
a
r
k
Ab
r
aham
Mer
g
e "Fix: pthrea
d
variabl
e
s w
e
re
overwritten by gmx
M
an
a
geG
.
.
.
commit
|
commitdiff
|
tree
2012-11-29
M
ark
Abra
h
am
F
ixing issue wi
t
h GPU d
e
tec
t
io
n
r
eport
i
ng
commit
|
commitdiff
|
tree
2012-11-29
Mark
A
b
r
aham
Refuse to build
w
i
t
h
clang 3
.
0
commit
|
commitdiff
|
tree
2012-11-29
Mark Abraha
m
A
d
d a C
M
ake warni
n
g
a
b
o
u
t
FFTW with --ena
b
le
-
av
x
commit
|
commitdiff
|
tree
2012-11-29
Mark Abraham
Merge
"
automation f
o
r setting G
M
X_GPU & cmake GPU detection
.
.
.
commit
|
commitdiff
|
tree
2012-11-29
Mar
k
Abra
h
am
Merge
"SSE4
.
1 double preci
s
ion ke
r
ne
l
s" into release-4
-
6
commit
|
commitdiff
|
tree
2012-11-29
Mark Abr
a
ham
Merge
"
Double preci
s
ion
S
SE2 kernels" into release-4-6
commit
|
commitdiff
|
tree
2012-11-28
Mark
A
b
raham
Merge
"
Ported back
s
o
me A
V
X256 optimizations to SSE2
.
.
.
commit
|
commitdiff
|
tree
2012-11-28
Ma
r
k
Abraham
Merge
"Fix Wind
o
w
-
G
PU build" in
t
o rel
e
as
e
-4
-
6
commit
|
commitdiff
|
tree
2012-11-28
Mark Abraham
Merge "
e
xtended nbn
x
n x86
SIMD kernel blendv support
.
.
.
commit
|
commitdiff
|
tree
2012-11-26
M
ark A
b
raham
C
l
ean up so
m
e
ma
t
hematical
const
a
nts
commit
|
commitdiff
|
tree
2012-11-23
Mark Abraham
U
p
da
t
e
s to CMa
k
e treatment of Ope
n
MP
commit
|
commitdiff
|
tree
2012-11-22
Mark
A
braham
Speed up md
l
ib compilatio
n
by reord
e
ring file globs
commit
|
commitdiff
|
tree
2012-11-19
Mark Abrah
a
m
Merge "SSE4
.
1
s
ingl
e
-precision
k
ernels" int
o
release-4-6
commit
|
commitdiff
|
tree
next