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Fix C++11 library check's thread dependency
2017-12-07
R
olan
d
S
c
hulz
Fix C++11 library check's thread depende
n
cy
commit
|
commitdiff
|
tree
2017-12-03
B
e
r
k
Hess
Clear
v
site velocities
for simple
i
ntegrato
r
s
commit
|
commitdiff
|
tree
2017-12-03
Mark
A
braham
Fix
f
ft
5
d pinning
commit
|
commitdiff
|
tree
2017-12-02
Berk Hess
Avoid assert
i
o
n failure
i
n AWH
commit
|
commitdiff
|
tree
2017-11-29
B
erk Hess
Ch
a
ng
e
the G
P
U SMT cut-off to quadratic
commit
|
commitdiff
|
tree
2017-11-27
A
l
eksei Iupinov
Do
n
ot force separate PME rank
t
o reco
m
pu
t
e
r
eciprocal
.
.
.
commit
|
commitdiff
|
tree
2017-11-27
Erik Lindahl
Test more
AVX-512F i
n
struction
s
b
e
fore en
a
b
ling supp
o
rt
commit
|
commitdiff
|
tree
2017-11-24
E
r
ik
L
indahl
De
t
ec
t
AVX-51
2
F
MA units to choose be
s
t SIMD
commit
|
commitdiff
|
tree
2017-11-24
Berk Hes
s
Limit SMT wi
t
h PME on GPU
commit
|
commitdiff
|
tree
2017-11-20
Viveca Lindahl
Add
reading
a
nd
writing to AW
H
m
odule
commit
|
commitdiff
|
tree
2017-11-20
Mark
Abraham
F
ix nightly ma
t
rix config
commit
|
commitdiff
|
tree
2017-11-19
Berk Hess
Add SIMD
fo
r
AWH
commit
|
commitdiff
|
tree
2017-11-18
Magn
u
s Lundborg
A
d
ded Magnus L
u
ndborg as contrib
u
tor in the
m
anual
.
commit
|
commitdiff
|
tree
2017-11-18
A
leksei
Iup
i
nov
Asynchro
n
ous CUDA trans
f
ers ar
e
asserted to always
.
.
.
commit
|
commitdiff
|
tree
2017-11-10
R
o
land Schulz
Revert
"
Use -mavx2
-
mfm
a
instead of -march w
i
th AVX2"
commit
|
commitdiff
|
tree
2017-11-08
Roland Schul
z
Fix scalar ble
n
d
commit
|
commitdiff
|
tree
2017-11-08
M
a
gnus Lundbo
r
g
Upda
t
e t
o
TNG v 1
.
8
.
1
commit
|
commitdiff
|
tree
2017-09-09
Berk Hess
Avoid inf in SIM
D
dou
b
le sqrt()
commit
|
commitdiff
|
tree
2017-07-19
Mark A
b
raham
I
mprove C
M
a
k
e
i
mple
m
enta
t
ion
f
o
r
GMX_S
I
MD
commit
|
commitdiff
|
tree
2017-06-29
Te
e
mu M
u
rtola
Ge
n
eralize IForceProv
i
der
commit
|
commitdiff
|
tree
2017-06-15
Szilárd
P
á
l
l
Allow disabl
i
n
g
the e
x
p
l
icit use of C
U
DA
textures
commit
|
commitdiff
|
tree
2017-06-14
Mark Abrah
a
m
Si
m
plify re
p
orting
f
rom i
n
it_gpu
commit
|
commitdiff
|
tree
2017-06-13
Er
i
k Lindahl
M
ore quotes
commit
|
commitdiff
|
tree
2017-06-07
Vedran
Miletić
D
o
cument
floa
t
i
ng-po
i
n
t
a
r
ithmetic
commit
|
commitdiff
|
tree
2017-05-29
Szi
l
árd Páll
Quotes ar
e
cool, ty
p
o-free ones are
even "coole
r
"
commit
|
commitdiff
|
tree
2017-05-27
Mark Abraham
Q
u
o
t
e
s
f
ro
m
G
o
tti
n
ge
n
works
h
op
commit
|
commitdiff
|
tree
2017-05-14
Ber
k
Hess
Fix bugs in double Si
m
d
4
im
p
l
ementations
commit
|
commitdiff
|
tree
2017-03-19
Erik
Lin
d
ahl
U
se O
p
e
n
MP up to
1
6 threa
d
s
with AMD Ry
z
en
commit
|
commitdiff
|
tree
2017-03-19
Erik
L
indahl
128-bit AVX2 SIM
D
for AMD Ry
z
e
n
commit
|
commitdiff
|
tree
2017-03-19
Mark Ab
r
aham
F
ix string handling for gcc 7
commit
|
commitdiff
|
tree
2017-03-14
Erik
Lindahl
Fix gcc co
m
pil
e
s of AV
X
-512 SIMD
commit
|
commitdiff
|
tree
2017-02-14
Mark
Abra
h
am
Fix handling o
f
previo
u
s
vir
i
als
commit
|
commitdiff
|
tree
2017-02-10
Roland Schulz
R
emove duplic
a
te AVX512 gather definition
s
commit
|
commitdiff
|
tree
2017-02-09
Mark
Abr
a
ham
R
e
m
ove
EST_DI
S
TR from state
.
h
commit
|
commitdiff
|
tree
2017-02-09
Mark Abrah
a
m
Enhan
c
e warninp
commit
|
commitdiff
|
tree
2017-02-08
R
oland
Schu
l
z
AVX512: Use
d
ou
b
le-
s
ized gather for pairs of fl
o
ats
commit
|
commitdiff
|
tree
2017-02-07
Mark Abr
a
ham
In
t
roduced system
prep
a
r
ation
s
ection to user
g
ui
d
e
commit
|
commitdiff
|
tree
2017-02-03
David van der
Spoel
Fixes SEGV in gmx order
.
commit
|
commitdiff
|
tree
2017-01-11
Roland Schulz
Tidy
:
modernize-use-nullptr
commit
|
commitdiff
|
tree
2016-11-03
Roland Schu
l
z
Supre
s
s ICC 16 on Windo
w
s fals
e
postives
commit
|
commitdiff
|
tree
2016-10-30
Teemu Murtola
S
upport
n
ormali
z
i
ng value
s
in
KeyValueTree
commit
|
commitdiff
|
tree
2016-10-30
Roland Sc
h
u
l
z
Replace qsort/bsearch
w
ith std
:
:sort/l
o
wer_bound
commit
|
commitdiff
|
tree
2016-10-11
Mark Abraham
Up
d
ate for FFTW 3
.
3
.
5
commit
|
commitdiff
|
tree
2016-09-26
David van der Sp
o
el
Fixes issue
w
ith Release b
u
ild in
corre
l
at
i
on fun
c
tions
.
commit
|
commitdiff
|
tree
2016-09-18
Roland Schul
z
Fix math
-
test false positive
commit
|
commitdiff
|
tree
2016-09-18
Rolan
d
S
chul
z
Be
t
ter
optimized ICC release flags
commit
|
commitdiff
|
tree
2016-09-12
Ma
r
k
A
b
raham
Preliminary
c
lea
n
up
o
f
NVML
code
commit
|
commitdiff
|
tree
2016-09-12
Berk
H
e
ss
Add const to threa
d
-M
P
I functions
commit
|
commitdiff
|
tree
2016-09-12
Ve
d
r
an Miletić
Document w
a
llcycle counters
and subcoun
t
ers
commit
|
commitdiff
|
tree
2016-09-12
Teemu M
u
rtola
Fix vario
u
s memo
r
y l
e
aks
commit
|
commitdiff
|
tree
2016-07-31
James Graha
m
A
v
oid blank
line in
writing in
d
ex f
i
l
e
commit
|
commitdiff
|
tree
2016-07-30
Rola
n
d
S
c
hul
z
Upd
a
te GCC
v
e
r
sion for reference build
commit
|
commitdiff
|
tree
2016-07-30
Vedran Miletić
Do
c
ument gmx_
c
gsort_t and gmx
_
d
o
mdec_sort_t stru
c
ts
commit
|
commitdiff
|
tree
2016-07-08
Erik Lin
d
ahl
Up
d
ate affi
n
ity checking for
I
nte
l
compiler
commit
|
commitdiff
|
tree
2016-07-08
Szilá
r
d
Páll
Ad
d
PDF metad
a
t
a
to th
e
m
anu
a
l
commit
|
commitdiff
|
tree
2016-07-07
Erik Li
n
dahl
Reduc
e
hwlo
c
& cpuid test requi
r
ements
commit
|
commitdiff
|
tree
2016-07-07
T
e
emu Murtol
a
Change handlin
g
for m
i
ssing releng
d
ocs
commit
|
commitdiff
|
tree
2016-07-07
Sz
i
lár
d
P
ál
l
Add
us
e
r guide info on CUDA appl
i
catio
n
cl
o
cks
commit
|
commitdiff
|
tree
2016-07-07
Mark
Abraham
Fix build if l
i
bcuda is fo
u
nd b
u
t nv
c
c is not
commit
|
commitdiff
|
tree
2016-06-07
S
em
e
n Yesylevsky
y
Added manual section a
b
o
u
t e
m
bedding pr
o
teins to
m
emb
r
a
nes
.
commit
|
commitdiff
|
tree
2016-06-05
S
z
ilárd Páll
Add support for
C
UDA CC 6
.
0/6
.
1
commit
|
commitdiff
|
tree
2016-06-03
Berk Hess
Hand
l
e partially fr
o
zen and co
n
s
t
rained atoms
commit
|
commitdiff
|
tree
2016-06-02
Szilárd Páll
Ad
d
e
nv
.
var
.
to
enable OpenCL cachin
g
commit
|
commitdiff
|
tree
2016-06-02
S
zilárd Páll
Fix Open
C
L binary cach
e
file name ge
n
erat
i
on
commit
|
commitdiff
|
tree
2016-06-02
R
ola
n
d Schulz
F
ix ICC 16u
3
buil
d
commit
|
commitdiff
|
tree
2016-06-02
Patrick Welche
Ensure IMD i
n
clude dependencies wo
r
k
commit
|
commitdiff
|
tree
2016-05-29
Mark
A
braham
Simpl
i
fied and up
d
a
t
ed OpenC
L
compilat
i
o
n
commit
|
commitdiff
|
tree
2016-05-08
Berk Hess
Up
d
ate mdr
u
n termin
a
tio
n
info
commit
|
commitdiff
|
tree
2016-04-03
B
erk He
s
s
Correct n
r
df for 1
D
/2D systems
commit
|
commitdiff
|
tree
2015-09-30
Roland Schu
l
z
Req
u
ir
e
C++11
commit
|
commitdiff
|
tree
2015-08-13
M
a
rk Abraham
Re-enable m
u
lti-
G
PU
s
upport in OpenCL f
o
r thr
e
ad
M
PI
commit
|
commitdiff
|
tree
2015-07-05
Berk
H
ess
Fix DD DLB
s
tate issu
e
commit
|
commitdiff
|
tree