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Added Magnus Lundborg as contributor in the manual.
2017-11-18
M
a
g
nu
s
Lund
b
org
Added Magnus Lundborg a
s
cont
r
ibutor in
the manual
.
commit
|
commitdiff
|
tree
2017-11-18
Ale
k
sei Iupinov
Asynchronous CUDA transfers
a
re asserted to always
.
.
.
commit
|
commitdiff
|
tree
2017-11-10
Roland Schul
z
Reve
r
t
"
U
se -mavx2
-mfma inst
e
ad o
f
-march
wi
t
h AVX2"
commit
|
commitdiff
|
tree
2017-11-08
R
o
land Schulz
Fix scal
a
r
b
l
end
commit
|
commitdiff
|
tree
2017-11-08
Magnus
Lundborg
U
p
date to TNG v 1
.
8
.
1
commit
|
commitdiff
|
tree
2017-09-09
B
erk Hess
Avoid inf in SIMD double sqr
t
()
commit
|
commitdiff
|
tree
2017-07-19
Mark Abraha
m
Improv
e
CMake impl
e
mentation for GMX
_
SIM
D
commit
|
commitdiff
|
tree
2017-06-29
T
e
e
m
u
Murt
o
la
Generalize
IForceP
r
ovider
commit
|
commitdiff
|
tree
2017-06-15
Szilárd
P
áll
A
llow di
s
abling the explic
i
t use of CUDA text
u
r
e
s
commit
|
commitdiff
|
tree
2017-06-14
M
ark Ab
r
a
ham
Simplify re
p
orting from
init_
g
pu
commit
|
commitdiff
|
tree
2017-06-13
E
r
i
k
Lindahl
More quo
t
es
commit
|
commitdiff
|
tree
2017-06-07
Vedran Mileti
ć
Docume
n
t floating-poin
t
arithmeti
c
commit
|
commitdiff
|
tree
2017-05-29
S
zilárd Pá
l
l
Quotes are cool
,
typo-free ones are
e
v
e
n
"coole
r
"
commit
|
commitdiff
|
tree
2017-05-27
M
a
rk Abraham
Quotes from Got
t
ingen works
h
op
commit
|
commitdiff
|
tree
2017-05-14
Berk Hess
Fix bugs in double
S
imd4 im
p
lement
a
tions
commit
|
commitdiff
|
tree
2017-03-19
Erik Li
n
d
ahl
Use Open
M
P
u
p
t
o 16 thre
a
ds with
AMD Ryzen
commit
|
commitdiff
|
tree
2017-03-19
Er
i
k
L
indahl
12
8
-bit
AVX2 SIMD
f
or AMD Ryzen
commit
|
commitdiff
|
tree
2017-03-19
Mark Abraham
F
i
x
str
i
ng
hand
l
ing f
o
r gc
c
7
commit
|
commitdiff
|
tree
2017-03-14
Erik
Lindahl
F
ix g
c
c
co
m
pi
l
es of AVX-
5
1
2 SIM
D
commit
|
commitdiff
|
tree
2017-02-14
Mark Abr
a
ham
Fi
x
h
a
ndling
of previous virials
commit
|
commitdiff
|
tree
2017-02-10
Roland Schulz
Remove d
u
plicate AVX5
1
2
gather d
e
f
initi
o
ns
commit
|
commitdiff
|
tree
2017-02-09
Mark Abraham
Remo
v
e EST_DISTR from sta
t
e
.
h
commit
|
commitdiff
|
tree
2017-02-09
Mark Abr
a
ham
Enhance warnin
p
commit
|
commitdiff
|
tree
2017-02-08
Roland Sch
u
l
z
AV
X
5
1
2: U
s
e
double-sized ga
t
her for
p
ai
r
s of floats
commit
|
commitdiff
|
tree
2017-02-07
Mar
k
A
b
ra
h
a
m
Introduced sy
s
tem preparation section to
u
s
e
r guide
commit
|
commitdiff
|
tree
2017-02-03
David van der Spoel
F
i
xe
s
SEGV in gmx order
.
commit
|
commitdiff
|
tree
2017-01-11
Roland Schulz
Tidy: modernize-use-nullptr
commit
|
commitdiff
|
tree
2016-11-03
R
oland Sch
u
lz
Supress ICC 16 on
W
i
ndow
s
false postives
commit
|
commitdiff
|
tree
2016-10-30
Tee
m
u Murtola
Support normal
i
z
ing values in KeyValueTree
commit
|
commitdiff
|
tree
2016-10-30
Roland Sc
h
ulz
R
epl
a
ce qso
r
t/bsearch with std::
s
ort/lower_bo
u
nd
commit
|
commitdiff
|
tree
2016-10-11
Ma
r
k Abrah
a
m
U
pdate for FFTW 3
.
3
.
5
commit
|
commitdiff
|
tree
2016-09-26
Dav
i
d van der
S
poel
Fixes issue with
R
elease build in correlation functi
o
ns
.
commit
|
commitdiff
|
tree
2016-09-18
R
o
land S
c
hul
z
Fix math-te
s
t
fal
s
e po
s
itive
commit
|
commitdiff
|
tree
2016-09-18
Roland Schul
z
Better optim
i
zed ICC release flags
commit
|
commitdiff
|
tree
2016-09-12
Mark Abraham
Preliminary clean up of NVML code
commit
|
commitdiff
|
tree
2016-09-12
Berk Hess
Add co
n
st to
thr
e
ad-MPI f
u
ncti
o
ns
commit
|
commitdiff
|
tree
2016-09-12
Vedran Miletić
Docum
e
nt wallcyc
l
e c
o
unters
and su
b
counters
commit
|
commitdiff
|
tree
2016-09-12
Te
e
mu Murto
l
a
Fix various memory lea
k
s
commit
|
commitdiff
|
tree
2016-07-31
James Graham
Avoid
bl
a
nk line
i
n wr
i
ti
n
g index file
commit
|
commitdiff
|
tree
2016-07-30
Roland Sch
u
l
z
Upd
a
t
e
GCC version for
r
eferen
c
e build
commit
|
commitdiff
|
tree
2016-07-30
Vedran Mileti
ć
D
ocument gmx_cgsort_t and gmx_domdec_sort
_
t structs
commit
|
commitdiff
|
tree
2016-07-08
Erik Lin
d
ahl
Update affinity
c
hecking for Intel compiler
commit
|
commitdiff
|
tree
2016-07-08
S
zilárd
P
áll
Add P
D
F metadata to
the manual
commit
|
commitdiff
|
tree
2016-07-07
Erik L
i
ndahl
Reduce hwlo
c
& cpuid test
r
e
q
ui
r
ements
commit
|
commitdiff
|
tree
2016-07-07
Teemu Murtola
Change h
a
n
dling for
m
issing rele
n
g d
o
cs
commit
|
commitdiff
|
tree
2016-07-07
Szilárd Pál
l
Add user
g
u
i
de
i
nf
o
o
n
C
UDA a
p
p
licat
i
o
n
clocks
commit
|
commitdiff
|
tree
2016-07-07
Ma
r
k Abraha
m
F
ix build if libcuda
is fou
n
d but
nvcc is n
o
t
commit
|
commitdiff
|
tree
2016-06-07
Semen
Y
esy
l
evskyy
A
d
ded manua
l
s
e
ction about em
b
eddin
g
pro
t
eins to membran
e
s
.
commit
|
commitdiff
|
tree
2016-06-05
S
zilárd
P
á
l
l
Add support
for
C
U
D
A CC 6
.
0
/
6
.
1
commit
|
commitdiff
|
tree
2016-06-03
Berk Hes
s
Handle partially f
r
ozen an
d
constrain
e
d
a
toms
commit
|
commitdiff
|
tree
2016-06-02
Szilárd Páll
Ad
d
env
.
var
.
to enable
O
penCL cach
i
ng
commit
|
commitdiff
|
tree
2016-06-02
S
z
i
l
árd Páll
Fix O
p
e
nCL binary cache file
n
ame generation
commit
|
commitdiff
|
tree
2016-06-02
Roland Schulz
Fix ICC 1
6
u3 build
commit
|
commitdiff
|
tree
2016-06-02
Patrick
W
e
l
che
E
nsure I
M
D include dependencies work
commit
|
commitdiff
|
tree
2016-05-29
Mar
k
A
b
raham
Simplified an
d
upd
a
ted OpenCL compil
a
t
ion
commit
|
commitdiff
|
tree
2016-05-08
Berk Hess
Update mdrun termi
n
ation
i
n
f
o
commit
|
commitdiff
|
tree
2016-04-03
Berk Hess
Correct nrdf for 1D/2D syst
e
ms
commit
|
commitdiff
|
tree
2015-09-30
Roland Schulz
Re
q
uire C++11
commit
|
commitdiff
|
tree
2015-08-13
Mar
k
Abraha
m
Re-enable mul
t
i-GPU support in OpenCL for thread MPI
commit
|
commitdiff
|
tree
2015-07-05
Be
r
k
H
ess
Fix DD DLB s
t
at
e
i
ssue
commit
|
commitdiff
|
tree