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Detect AVX-512 FMA units to choose best SIMD
2017-11-24
Erik
Lindahl
D
etect AVX-512 FMA units
to
choose best SIMD
commit
|
commitdiff
|
tree
2017-11-24
B
e
rk Hess
L
i
mi
t
S
MT w
i
th PME on GPU
commit
|
commitdiff
|
tree
2017-11-20
Viveca Lindahl
Add rea
d
ing
an
d
writin
g
to AWH mo
d
ule
commit
|
commitdiff
|
tree
2017-11-20
Mark Abrah
a
m
Fi
x
nightly
ma
t
rix config
commit
|
commitdiff
|
tree
2017-11-19
Berk Hess
A
d
d
S
IMD for AWH
commit
|
commitdiff
|
tree
2017-11-18
M
a
gnus L
u
ndborg
A
d
ded Magnus
Lundborg as co
n
tributo
r
i
n
the manua
l
.
commit
|
commitdiff
|
tree
2017-11-18
Aleksei Iu
p
i
nov
Async
h
ronous
C
UDA transfers are asserted to
always
.
.
.
commit
|
commitdiff
|
tree
2017-11-10
Roland Schulz
Revert "
U
se
-mavx2
-mfma ins
t
ead of -march
w
ith AVX2"
commit
|
commitdiff
|
tree
2017-11-08
Roland
Sch
u
lz
F
ix sca
l
ar blend
commit
|
commitdiff
|
tree
2017-11-08
Magnus Lun
d
borg
Update t
o
TNG v 1
.
8
.
1
commit
|
commitdiff
|
tree
2017-09-09
Be
r
k Hess
Avoid
inf in SIMD double sqrt()
commit
|
commitdiff
|
tree
2017-07-19
Mar
k
Abraham
Improve CMake implemen
t
ati
o
n for GM
X
_
SIMD
commit
|
commitdiff
|
tree
2017-06-29
Tee
m
u Mur
t
o
la
G
e
neraliz
e
I
F
orceProvider
commit
|
commitdiff
|
tree
2017-06-15
S
zilárd Páll
Allow disabling the e
x
plicit use
o
f
C
U
D
A textures
commit
|
commitdiff
|
tree
2017-06-14
M
a
r
k
A
b
raham
Simpli
f
y repo
r
ting from
init_gpu
commit
|
commitdiff
|
tree
2017-06-13
Erik Lindahl
More quotes
commit
|
commitdiff
|
tree
2017-06-07
Vedra
n
Miletić
D
o
cument floating-poi
n
t arithme
t
ic
commit
|
commitdiff
|
tree
2017-05-29
Szilárd Páll
Qu
o
t
e
s
are cool, typo-fre
e
ones a
r
e even "coole
r
"
commit
|
commitdiff
|
tree
2017-05-27
Mark Abraham
Q
uo
t
es from Gottingen works
h
op
commit
|
commitdiff
|
tree
2017-05-14
Berk Hess
Fix
b
ug
s
in double Simd4
impl
e
mentati
o
ns
commit
|
commitdiff
|
tree
2017-03-19
Erik Linda
h
l
Use Open
M
P up
t
o 16
thr
e
ad
s
w
ith AMD Ryzen
commit
|
commitdiff
|
tree
2017-03-19
Erik Lin
d
ahl
128-bit
AVX
2
S
IMD for
A
M
D Ryzen
commit
|
commitdiff
|
tree
2017-03-19
Mark Abr
a
ham
Fix
string handling fo
r
gcc 7
commit
|
commitdiff
|
tree
2017-03-14
Erik Lin
d
a
h
l
Fix gcc comp
i
le
s
of AVX-51
2
S
IMD
commit
|
commitdiff
|
tree
2017-02-14
M
ark
A
b
rah
a
m
Fix handling of previous virials
commit
|
commitdiff
|
tree
2017-02-10
Roland Schulz
Remove duplicate AVX512 gather def
i
nit
i
on
s
commit
|
commitdiff
|
tree
2017-02-09
Mark A
b
raham
Remove EST_
D
ISTR f
r
o
m
sta
t
e
.
h
commit
|
commitdiff
|
tree
2017-02-09
Mar
k
Abraham
Enhance war
n
i
n
p
commit
|
commitdiff
|
tree
2017-02-08
R
oland Schulz
AVX512: Use
doub
l
e-sized gather for
p
airs of floats
commit
|
commitdiff
|
tree
2017-02-07
Mark Abraham
Intro
d
u
ced sys
t
em preparation section to u
s
e
r
guide
commit
|
commitdiff
|
tree
2017-02-03
Da
v
id
van der Spoe
l
Fixes SEGV
i
n gmx
order
.
commit
|
commitdiff
|
tree
2017-01-11
Roland
Schulz
Ti
d
y
:
m
oderniz
e
-
use-
n
ullptr
commit
|
commitdiff
|
tree
2016-11-03
Roland S
c
hul
z
Su
p
ress ICC
16 on Windows false post
i
ve
s
commit
|
commitdiff
|
tree
2016-10-30
Teemu
M
urtol
a
Suppo
r
t
no
r
malizing values
in KeyValueTre
e
commit
|
commitdiff
|
tree
2016-10-30
Rol
a
nd Schulz
Replace qsort/bsearch with std::sort/lower_bound
commit
|
commitdiff
|
tree
2016-10-11
Mark Abra
h
am
Update for FFTW 3
.
3
.
5
commit
|
commitdiff
|
tree
2016-09-26
David van der Spoel
F
ixes
issue with Release b
u
ild in corre
l
a
tion funct
i
ons
.
commit
|
commitdiff
|
tree
2016-09-18
Rola
n
d
Schulz
F
i
x math-test false positiv
e
commit
|
commitdiff
|
tree
2016-09-18
Rol
a
n
d
Sch
u
lz
Better
optim
i
ze
d
ICC releas
e
flags
commit
|
commitdiff
|
tree
2016-09-12
M
ar
k
Abraham
Prel
i
mi
n
ary clean up of NVML
c
o
de
commit
|
commitdiff
|
tree
2016-09-12
Berk Hess
Add const to thread-MPI
func
t
io
n
s
commit
|
commitdiff
|
tree
2016-09-12
V
edran Miletić
Docume
n
t
w
a
llcycle
c
o
unters and subcounters
commit
|
commitdiff
|
tree
2016-09-12
Teemu Murtola
F
i
x vari
o
u
s memory leaks
commit
|
commitdiff
|
tree
2016-07-31
James Graham
A
vo
i
d blank line in
w
r
i
ting i
n
d
ex file
commit
|
commitdiff
|
tree
2016-07-30
Roland Schulz
U
p
date GCC version for
r
efe
r
e
n
ce build
commit
|
commitdiff
|
tree
2016-07-30
Vedra
n
Miletić
Document gmx_cgs
o
rt
_
t an
d
gmx
_
domdec_sort_t str
u
cts
commit
|
commitdiff
|
tree
2016-07-08
Eri
k
Lindahl
U
p
date affinity c
h
e
cking fo
r
Int
e
l
compiler
commit
|
commitdiff
|
tree
2016-07-08
Szilárd Pá
l
l
Add PDF metada
t
a to the manual
commit
|
commitdiff
|
tree
2016-07-07
E
r
ik Lind
a
hl
Reduce hw
l
oc & cpuid test requir
e
ments
commit
|
commitdiff
|
tree
2016-07-07
T
eemu Murtola
Change handling for missi
n
g releng doc
s
commit
|
commitdiff
|
tree
2016-07-07
Szi
l
árd Páll
Add user
g
uide info on CUD
A
a
p
plication cl
o
cks
commit
|
commitdiff
|
tree
2016-07-07
Mark Ab
r
aham
F
ix build if
libc
u
da i
s
found but nvcc is not
commit
|
commitdiff
|
tree
2016-06-07
Semen Yesylevsky
y
Add
e
d manu
a
l section
a
bo
u
t e
m
bedding proteins to m
e
mbranes
.
commit
|
commitdiff
|
tree
2016-06-05
Szilárd Páll
Add
s
upport for CUDA C
C
6
.
0/6
.
1
commit
|
commitdiff
|
tree
2016-06-03
Berk Hess
Handl
e
pa
r
tiall
y
f
r
ozen and constrained atoms
commit
|
commitdiff
|
tree
2016-06-02
Szilá
r
d
Pál
l
Add env
.
var
.
to enable OpenCL c
a
ching
commit
|
commitdiff
|
tree
2016-06-02
Szil
á
rd Páll
F
ix OpenC
L
binary cache file na
m
e genera
t
ion
commit
|
commitdiff
|
tree
2016-06-02
Roland
Schulz
Fix ICC 16u3 build
commit
|
commitdiff
|
tree
2016-06-02
Patr
i
ck
W
el
c
he
Ensure
IM
D
inclu
d
e
dependencies work
commit
|
commitdiff
|
tree
2016-05-29
Mark Abr
a
ham
Simpl
i
fied and upda
t
e
d
OpenCL comp
i
lation
commit
|
commitdiff
|
tree
2016-05-08
Berk Hess
Upda
t
e m
d
run termination info
commit
|
commitdiff
|
tree
2016-04-03
Berk Hess
Correct nrdf for 1D/2D systems
commit
|
commitdiff
|
tree
2015-09-30
R
oland
Schulz
R
equ
i
re C++11
commit
|
commitdiff
|
tree
2015-08-13
Mark
A
brah
a
m
R
e
-ena
b
le
multi
-
GPU
s
upport
i
n OpenCL for thread MPI
commit
|
commitdiff
|
tree
2015-07-05
Berk Hess
Fix DD DLB state iss
u
e
commit
|
commitdiff
|
tree