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Add reading and writing to AWH module
2017-11-20
V
i
veca
Lindahl
Add
re
a
di
n
g and
writing
t
o A
W
H mo
d
ule
commit
|
commitdiff
|
tree
2017-11-20
Mark Abraham
Fix nightly matrix config
commit
|
commitdiff
|
tree
2017-11-19
B
e
r
k
Hes
s
A
d
d SIMD for AWH
commit
|
commitdiff
|
tree
2017-11-18
M
a
gnus Lundborg
Added Magnus Lundborg as contr
i
b
utor in the manual
.
commit
|
commitdiff
|
tree
2017-11-18
Aleksei Iupinov
A
s
ynch
r
ono
u
s
CUDA transfers
are a
s
s
erted to always
.
.
.
commit
|
commitdiff
|
tree
2017-11-10
Roland Schulz
Revert
"Use
-
mavx2 -m
f
ma instead of
-
march with AVX2"
commit
|
commitdiff
|
tree
2017-11-08
Roland Schulz
Fix scalar
b
len
d
commit
|
commitdiff
|
tree
2017-11-08
Magnus Lundborg
Update to TNG v 1
.
8
.
1
commit
|
commitdiff
|
tree
2017-09-09
Berk He
s
s
Avoid inf in SIMD double s
q
rt()
commit
|
commitdiff
|
tree
2017-07-19
Mark Abraham
Improve
C
Make implementatio
n
for GMX_SI
M
D
commit
|
commitdiff
|
tree
2017-06-29
Teemu Murtola
Gener
a
lize IForceProvid
e
r
commit
|
commitdiff
|
tree
2017-06-15
S
zilárd Páll
Allow disa
b
l
i
n
g t
h
e
explici
t
use of CUDA t
e
xtures
commit
|
commitdiff
|
tree
2017-06-14
Mark A
b
raham
Sim
p
lify reporting from
i
n
i
t_gpu
commit
|
commitdiff
|
tree
2017-06-13
Eri
k
Lindahl
M
ore quotes
commit
|
commitdiff
|
tree
2017-06-07
Vedra
n
Miletić
D
o
cument floating-point a
r
ithmetic
commit
|
commitdiff
|
tree
2017-05-29
Szilárd Pá
l
l
Quote
s
ar
e
co
o
l
,
typo-free
ones
are even "co
o
ler"
commit
|
commitdiff
|
tree
2017-05-27
M
ark Abraham
Quot
e
s fro
m
Gottingen wo
r
k
shop
commit
|
commitdiff
|
tree
2017-05-14
B
erk Hess
Fix bugs in
d
o
uble Simd4
i
m
plem
e
ntatio
n
s
commit
|
commitdiff
|
tree
2017-03-19
Erik
L
i
ndahl
Us
e
OpenMP up to 16 threads wit
h
AMD R
y
zen
commit
|
commitdiff
|
tree
2017-03-19
Erik Lindahl
128-bit
A
VX2
S
IMD for
A
MD Ryz
e
n
commit
|
commitdiff
|
tree
2017-03-19
Mark
A
braham
Fix
string handling for gcc 7
commit
|
commitdiff
|
tree
2017-03-14
Erik Lindahl
Fix
g
c
c compi
l
es of
A
VX-512 SIMD
commit
|
commitdiff
|
tree
2017-02-14
Mark Abra
h
a
m
Fix handling of previo
u
s v
i
rials
commit
|
commitdiff
|
tree
2017-02-10
Roland
Schulz
Remov
e
d
u
plicate AVX5
1
2 gathe
r
d
efi
n
it
i
ons
commit
|
commitdiff
|
tree
2017-02-09
M
a
rk
Abra
h
am
Remov
e
E
S
T_DISTR from state
.
h
commit
|
commitdiff
|
tree
2017-02-09
Mark Abr
a
ham
Enhance warn
i
n
p
commit
|
commitdiff
|
tree
2017-02-08
Roland Sch
u
lz
AVX51
2
: Use do
u
ble-sized gather
for pairs of floa
t
s
commit
|
commitdiff
|
tree
2017-02-07
Mark Abra
h
am
I
n
troduced
s
y
s
tem prepa
r
at
i
on se
c
tion to us
e
r guid
e
commit
|
commitdiff
|
tree
2017-02-03
David van d
e
r Spoel
Fixes SEGV in
gmx orde
r
.
commit
|
commitdiff
|
tree
2017-01-11
Roland Schulz
Tidy: mod
e
rni
z
e-
u
se-nullptr
commit
|
commitdiff
|
tree
2016-11-03
R
o
l
a
nd Schulz
Supress IC
C
1
6
on Windo
w
s false
p
os
t
i
ves
commit
|
commitdiff
|
tree
2016-10-30
Teemu Murtola
S
u
p
port normalizing val
u
es in KeyValueTree
commit
|
commitdiff
|
tree
2016-10-30
Roland Schulz
R
e
pla
c
e
q
sort/bsearch with s
t
d
::s
o
rt/lower_bound
commit
|
commitdiff
|
tree
2016-10-11
Mark Abrah
a
m
U
pdate for FFTW 3
.
3
.
5
commit
|
commitdiff
|
tree
2016-09-26
David van der S
p
oe
l
Fixes issue with
R
e
lease build in correl
a
tion functions
.
commit
|
commitdiff
|
tree
2016-09-18
Roland Schulz
Fix math-test false posi
t
ive
commit
|
commitdiff
|
tree
2016-09-18
Roland
Schulz
Be
t
t
er optimized ICC relea
s
e flags
commit
|
commitdiff
|
tree
2016-09-12
Mark Abra
h
am
Preli
m
inary clean
up o
f
N
VML code
commit
|
commitdiff
|
tree
2016-09-12
Berk Hess
Add const to thr
e
a
d
-MPI functio
n
s
commit
|
commitdiff
|
tree
2016-09-12
Vedr
a
n
Mil
e
tić
Documen
t
wallcycle count
e
rs and s
u
bcoun
t
ers
commit
|
commitdiff
|
tree
2016-09-12
Teemu Murtola
Fi
x
various memory leaks
commit
|
commitdiff
|
tree
2016-07-31
James Graha
m
Avoid bl
a
n
k l
i
n
e
in writ
i
ng i
n
dex file
commit
|
commitdiff
|
tree
2016-07-30
Roland
S
chulz
Up
d
ate GCC v
e
rsion for r
e
f
erence build
commit
|
commitdiff
|
tree
2016-07-30
Vedran
Milet
i
ć
D
o
cument
gmx_cgsort
_
t an
d
gmx_dom
d
ec_sort_t structs
commit
|
commitdiff
|
tree
2016-07-08
Erik Lindahl
Up
d
a
te
af
f
inity checking fo
r
Inte
l
compiler
commit
|
commitdiff
|
tree
2016-07-08
S
z
ilárd Páll
Add PDF metadata to th
e
manual
commit
|
commitdiff
|
tree
2016-07-07
Er
i
k Lind
a
hl
R
e
duce
h
wloc & cpuid test req
u
ire
m
ents
commit
|
commitdiff
|
tree
2016-07-07
Te
e
m
u Murtola
C
h
a
n
ge
h
andling fo
r
m
i
ssing
releng docs
commit
|
commitdiff
|
tree
2016-07-07
Sz
i
lárd Páll
A
d
d u
s
er gu
i
de
i
nfo on C
U
DA ap
p
lication clocks
commit
|
commitdiff
|
tree
2016-07-07
M
ark Abraham
Fix b
u
ild i
f
libcuda is found
but nvcc is not
commit
|
commitdiff
|
tree
2016-06-07
Semen Yesyl
e
vsky
y
Added
m
anual secti
o
n
a
bout
emb
e
dding p
r
oteins
t
o membranes
.
commit
|
commitdiff
|
tree
2016-06-05
Szilárd Páll
Add suppo
r
t fo
r
CUDA
CC 6
.
0
/
6
.
1
commit
|
commitdiff
|
tree
2016-06-03
Berk Hess
H
a
n
d
le partial
l
y frozen and con
s
trained atoms
commit
|
commitdiff
|
tree
2016-06-02
Szilárd Páll
A
d
d en
v
.
v
a
r
.
t
o enable Ope
n
CL
c
aching
commit
|
commitdiff
|
tree
2016-06-02
S
z
ilár
d
Pá
l
l
Fix Op
e
nCL binary cache fi
l
e name g
e
neration
commit
|
commitdiff
|
tree
2016-06-02
R
o
l
and Sc
h
ulz
Fi
x
IC
C
16u3 build
commit
|
commitdiff
|
tree
2016-06-02
Patr
i
ck Welche
Ensure IMD inc
l
u
de
de
p
endencie
s
work
commit
|
commitdiff
|
tree
2016-05-29
Mark Abraham
S
implified and u
p
da
t
ed OpenCL compila
t
i
o
n
commit
|
commitdiff
|
tree
2016-05-08
Berk He
s
s
Update mdrun
termina
t
ion info
commit
|
commitdiff
|
tree
2016-04-03
Berk Hess
Co
r
rect nrdf for
1D/2D systems
commit
|
commitdiff
|
tree
2015-09-30
Roland Schu
l
z
Require
C
++11
commit
|
commitdiff
|
tree
2015-08-13
Mark A
b
raham
Re-ena
b
le multi-GPU
support
i
n Ope
n
C
L
for thread MP
I
commit
|
commitdiff
|
tree
2015-07-05
Berk Hes
s
Fix D
D
DLB state iss
u
e
commit
|
commitdiff
|
tree