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
Support for portable hardware locality (hwloc)
2016-03-09
Erik
L
indahl
Support for portable
hardwa
r
e locality (hwloc)
commit
|
commitdiff
|
tree
2016-03-04
Berk Hess
Converted csettle() to use real/Simd
R
eal
t
emp
l
ate
commit
|
commitdiff
|
tree
2016-03-04
Erik Lindahl
Fix length of SIMD4 b
o
o
lea
n
vector i
n
refere
n
ce
build
commit
|
commitdiff
|
tree
2016-03-04
John Eble
n
Minor cor
r
ection
s
t
o license file COPYING
commit
|
commitdiff
|
tree
2016-03-03
Berk Hes
s
Use r
v
ec4 for listed force buffer
commit
|
commitdiff
|
tree
2016-02-27
Berk He
s
s
Minor code reo
r
d
ering i
n
GPU kernels
commit
|
commitdiff
|
tree
2016-02-26
Szi
l
á
rd Pál
l
F
ix lef
t
over
load() calls
i
n the simd
u
til h
e
a
d
ers
commit
|
commitdiff
|
tree
2016-02-26
Berk
H
ess
Fi
x
com
p
il
a
t
ion with
Simd4F
l
oa
t
, without Simd4Double
commit
|
commitdiff
|
tree
2016-02-26
Mark
A
braham
Separate
d
test of CDATA e
n
d
tag handling from others
commit
|
commitdiff
|
tree
2016-02-22
Mark Abraham
Move init of
specialized dynamical
algor
i
thms
to do_md
commit
|
commitdiff
|
tree
2016-02-21
Mark Abr
a
ha
m
Separ
a
t
e
t
able construc
t
ion
commit
|
commitdiff
|
tree
2016-02-19
Gerrit Cod
e
Review
Merge "Merge branc
h
release-5-1"
commit
|
commitdiff
|
tree
2016-02-19
S
z
ilárd Páll
Fix OpenC
L
table
interpolations of Ewa
l
d c
o
rrection
commit
|
commitdiff
|
tree
2016-02-19
Mark Abraham
Make bo
t
h ftp an
d
http li
n
k
s f
o
r
source downloa
d
commit
|
commitdiff
|
tree
2016-02-19
Berk Hess
Fix exc
e
ssive list sp
l
itting
commit
|
commitdiff
|
tree
2016-02-19
John E
b
l
en
Fix
c
ompiler warnings w
i
th ICC
commit
|
commitdiff
|
tree
2016-02-18
Ca
r
sten Kutzner
S
m
all u
p
date to refer
e
n
c
e manual
commit
|
commitdiff
|
tree
2016-02-18
Mar
k
Abrah
a
m
Updated refer
e
n
ce manual text
a
bout PME tuning
commit
|
commitdiff
|
tree
2016-02-16
Viv
e
c
a Lindahl
Replaced pull-print-com1,2
mdp opt
i
on
with pull-print
.
.
.
commit
|
commitdiff
|
tree
2016-02-16
Alexey Shvets
o
v
Make GROMACS co
m
p
i
le again on Xeo
n
Phi
commit
|
commitdiff
|
tree
2016-02-12
Erik Lindahl
Exten
d
ed SIMD, impl
e
me
n
tat
i
o
n
for
AVX-512F/E
R
commit
|
commitdiff
|
tree
2016-02-11
Berk
Hess
Add SIMD version of pbc_dx_aiuc
commit
|
commitdiff
|
tree
2016-02-10
Mark Abraham
Improved
u
p
d
a
te_coords ha
n
dling of xprime
commit
|
commitdiff
|
tree
2016-02-10
Mark Abra
h
am
Fix
i
s
s
ues to u
p
dat
e
c
p
pcheck support to 1
.
72
commit
|
commitdiff
|
tree
2016-02-09
Berk Hess
Replaced nbnxn search
+
g
r
id s
i
md m
a
cros
commit
|
commitdiff
|
tree
2016-02-09
Gerrit Code Rev
i
ew
Merge "Merge
branch relea
s
e-5-1
"
commit
|
commitdiff
|
tree
2016-02-08
Szilárd Páll
Han
d
le uniformly GMX_OCL_NOGENCACH
E
commit
|
commitdiff
|
tree
2016-02-07
Be
r
k
Hes
s
Fix in
c
orrect cmap parsing
commit
|
commitdiff
|
tree
2016-02-03
Ber
k
Hes
s
Re
p
laced
l
iterals in n
b
nxn lists
by
i
nts
commit
|
commitdiff
|
tree
2016-02-03
Berk Hess
F
ix mdr
u
n removi
n
g
Ver
l
e
t
buffer wi
t
h EM
commit
|
commitdiff
|
tree
2016-02-03
Mark Abrah
a
m
F
ix grompp
n
ot warning when
.
m
d
p
valu
e
s
have
wrong
.
.
.
commit
|
commitdiff
|
tree
2016-02-03
Berk Hess
Fix
SE
T
TLE
e
rro
r
handl
i
ng
commit
|
commitdiff
|
tree
2016-02-03
Mark A
b
r
aham
Fix dEkin/dl
h
andling with mul
t
iple ra
n
ks
commit
|
commitdiff
|
tree
2016-02-02
Vi
v
eca
L
i
n
dahl
Adde
d
pull potential flat-bottom-high
commit
|
commitdiff
|
tree
2016-02-01
Gerrit C
o
d
e Review
Merge "M
e
rge branch release-5-1"
commit
|
commitdiff
|
tree
2016-02-01
Teemu M
u
rtola
H
a
ndle
pdbinfo in At
o
msBu
i
l
d
e
r
commit
|
commitdiff
|
tree
2016-01-29
Berk Hess
Add check
f
or double p
e
rturbation
commit
|
commitdiff
|
tree
2016-01-29
Berk Hess
Fi
x
LINCS triangle constraint
thread iss
u
e
commit
|
commitdiff
|
tree
2016-01-28
Mark
Abraham
Fix use of __APP
L
E
__ in Op
e
nCL code
commit
|
commitdiff
|
tree
2016-01-28
T
e
emu M
u
rtola
Update build scripts
t
o
releng
c
han
g
es
commit
|
commitdiff
|
tree
2016-01-28
G
er
r
i
t
Code Review
Merge
"Merge b
r
anch release-5-1"
commit
|
commitdiff
|
tree
2016-01-28
Mar
k
Ab
r
aham
Add OpenCL
source file
t
ypes
t
o
c
opyright che
c
ker
commit
|
commitdiff
|
tree
2016-01-28
B
erk Hess
Update pair-list buffer manual
commit
|
commitdiff
|
tree
2016-01-28
Vedran
M
il
e
tić
Ope
n
CL: use new defines (*_POW2
_
EXPON
E
NT -> *_LOG2)
commit
|
commitdiff
|
tree
2016-01-27
Mark Ab
r
aham
Add s
u
gge
s
ti
o
ns for
u
pdating b
i
nut
i
ls
commit
|
commitdiff
|
tree
2016-01-26
Szilárd Páll
G
PU code
reorganization and t
w
eaks
commit
|
commitdiff
|
tree
2016-01-24
Mark Ab
r
a
h
am
Fix dupli
c
ate LaTeX
e
quat
i
on label
commit
|
commitdiff
|
tree
2016-01-24
B
e
r
k Hess
Fix
exact
c
ontinuation f
r
o
m
non-energy
s
te
p
s
commit
|
commitdiff
|
tree
2016-01-24
Berk Hess
Fix ene
r
gy
file
c
ontinuation
w
ith
md-
v
v
commit
|
commitdiff
|
tree
2016-01-24
Mark Abraham
Upd
a
te referen
c
es to
H
T
ML and online documentation
commit
|
commitdiff
|
tree
2016-01-24
T
e
emu Murtola
Document limitations on 32
-
b
i
t
Li
n
ux
commit
|
commitdiff
|
tree
2016-01-24
B
erk Hess
Fix energy average with contin
u
ation
commit
|
commitdiff
|
tree
2016-01-14
Mark Abraham
Perm
i
t
customized testing
o
f
g
rom
p
p and mdr
u
n
commit
|
commitdiff
|
tree
2016-01-13
Mark Abrah
a
m
Allo
w
ed
N
V
ML support to be toggled
commit
|
commitdiff
|
tree
2016-01-12
Teemu Murtol
a
Make G
M
X_MPI always d
e
fined
t
o 0/
1
commit
|
commitdiff
|
tree
2016-01-12
T
e
e
m
u M
u
rtola
S
upport
passin
g
t
arball MD5 f
o
r
w
ebp
a
ge build
commit
|
commitdiff
|
tree
2016-01-12
T
e
e
mu M
u
rtola
R
e
move vmdplug
i
n
fro
m
t_t
r
xfr
a
me
commit
|
commitdiff
|
tree
2016-01-11
T
e
emu Murto
l
a
C
onver
t
more config
.
h define
s
to
0/1
commit
|
commitdiff
|
tree
2016-01-11
Ma
r
k Abraham
Improve
d
update_coords
commit
|
commitdiff
|
tree
2016-01-10
Teemu M
u
rto
l
a
Support arb
i
t
r
ary subset
t
ra
j
ect
o
r
ies in poscalc
.
*
commit
|
commitdiff
|
tree
2016-01-10
Teemu Mur
t
ola
Mak
e
file names in fatal error
messages more robust
commit
|
commitdiff
|
tree
2016-01-10
Te
e
mu
M
u
r
tola
C
o
n
ve
r
t some config
.
h macros to use
0
/
1
commit
|
commitdiff
|
tree
2016-01-09
Sz
i
lárd Páll
spl
i
t
NB
N
XN CUDA kernels into fou
r
compilation units
commit
|
commitdiff
|
tree
2016-01-08
Berk
H
ess
Fix PME load balan
c
ing skippin
g
a setup
commit
|
commitdiff
|
tree
2016-01-08
Ma
r
k Ab
r
aham
Improve tpr header v
e
rsi
o
n
h
a
ndling
commit
|
commitdiff
|
tree
2016-01-07
Mark Abr
a
ham
Documen
t
how po
t
ential-swi
t
ch w
o
rks
commit
|
commitdiff
|
tree
2016-01-07
Mark
A
brah
a
m
Remove SD2
i
ntegrator
commit
|
commitdiff
|
tree
2016-01-07
David van
d
er Spo
e
l
Made n
o
rmal mode
s
w
o
rk wit
h
shells and vsites
commit
|
commitdiff
|
tree
2016-01-07
Mich
a
e
l
Shirts
F
ixes two problems related to r
e
sta
r
t
s
for
vv
.
commit
|
commitdiff
|
tree
2016-01-05
T
e
emu Mur
t
ola
Up
d
ate
packaging
b
u
ild
commit
|
commitdiff
|
tree
2016-01-05
Mark
Abraha
m
F
i
x l
o
gi
c
for
D
D missing
-
interactions
c
heck
commit
|
commitdiff
|
tree
2016-01-05
Mark A
b
raha
m
Use EXPECT_TRUE an
d
EXPECT_F
A
LSE in ne
w
SI
M
D test
s
commit
|
commitdiff
|
tree
2016-01-04
Erik
L
indahl
Fix unnecessary SIMD
warning
commit
|
commitdiff
|
tree
2016-01-04
Mark Abraha
m
Change GMX_DO
U
BL
E
to be alway
s
defined
commit
|
commitdiff
|
tree
2016-01-01
Szilard
Pall
Fix xlc+CUDA workaround
in gmxManageNvccConfig
commit
|
commitdiff
|
tree
2015-12-29
Tee
m
u
Murtola
Red
u
ce
inputrec
.
h dep
e
ndencies
commit
|
commitdiff
|
tree
2015-12-28
Mark Abraham
C
r
eate invertmatrix
.
h
commit
|
commitdiff
|
tree
2015-12-27
Erik Lin
d
ahl
Extended SIMD, im
p
lementation for
Intel M
I
C
commit
|
commitdiff
|
tree
2015-12-27
Teemu M
u
r
t
ola
Improve
text writin
g
i
n help o
u
t
put
commit
|
commitdiff
|
tree
2015-12-27
R
o
la
n
d S
c
hulz
Fix
G
++
4
.
7
.
0
commit
|
commitdiff
|
tree
2015-12-27
Teemu
M
u
r
to
l
a
Sou
r
ce packag
i
ng wit
h
new r
e
le
n
g
commit
|
commitdiff
|
tree
2015-12-27
Teemu Murtol
a
Furthe
r
vec
.
h cleanu
p
commit
|
commitdiff
|
tree
2015-12-27
Erik Lindahl
A
void u
s
ing
a
ligned
member va
r
ia
b
les in SIM
D
tests
commit
|
commitdiff
|
tree
2015-12-26
Szilard Pall
Impr
o
ve docume
n
tation o
n
OpenCL issue w
i
th NVIDIA
commit
|
commitdiff
|
tree
2015-12-26
Teemu Murtola
Clean up
vec
.
h
commit
|
commitdiff
|
tree
2015-12-24
Mark Abraham
M
oved respon
s
ibility for f_gl
o
b
a
l
commit
|
commitdiff
|
tree
2015-12-24
Erik Lindah
l
E
x
tended
SIMD, impl f
o
r Arm Neon an
d
64-bit
N
eon Asimd
commit
|
commitdiff
|
tree
2015-12-24
Te
e
mu Murtola
Add functionality to Te
x
tWriter
commit
|
commitdiff
|
tree
2015-12-20
Erik Lindahl
Next-generation SIMD, for SSE
2
,
SS
E
4
.
1
a
nd 128-bit AVX
commit
|
commitdiff
|
tree
2015-12-20
T
e
emu Murtola
Fi
x
m
o
st wa
r
nings wi
t
h Doxygen 1
.
8
.
10
commit
|
commitdiff
|
tree
2015-12-19
E
r
ik Lindahl
Fix compiler warning in cpuinfo for non-x8
6
arc
h
itectures
commit
|
commitdiff
|
tree
2015-12-19
T
e
e
m
u M
u
rtola
Updat
e
versio
n
ing
f
or
n
ew scheme
commit
|
commitdiff
|
tree
2015-12-16
Teemu Murtola
Move calc
g
rid
.
* t
o
fft/
commit
|
commitdiff
|
tree
2015-12-15
Teemu Murtola
Mov
e
gp
u
_utils etc
.
ou
t
of gmxlib
commit
|
commitdiff
|
tree
2015-12-13
Szilard Pal
l
OpenCL c
o
de cleanup
commit
|
commitdiff
|
tree
2015-12-12
Teemu Murtola
Cre
a
te se
p
arate
m
odule for trajectory
data
commit
|
commitdiff
|
tree
2015-12-12
Berk Hess
R
e
moved unused mdr
u
n
o
p
tion
-dn
commit
|
commitdiff
|
tree
2015-12-12
Ma
r
k Abraham
B
r
oke up copyri
g
h
t
.
*
commit
|
commitdiff
|
tree
2015-12-12
Mark Abr
a
ham
R
e
quire Nose-Hoover w
i
th MTTK
commit
|
commitdiff
|
tree
2015-12-12
Ch
r
is
t
oph
J
un
g
ha
n
s
A
d
R
esS: lost perfo
r
mance twea
k
commit
|
commitdiff
|
tree
next