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Avoid -Wmissing-prototypes warnings in clang CUDA builds
2017-10-05
Szilárd
Páll
Avo
i
d
-
Wmissin
g
-prot
o
types w
a
rnings in clang CUDA bui
l
d
s
commit
|
commitdiff
|
tree
2017-10-05
R
ol
a
n
d
Schulz
Fix that exp(
l
o
a
d(x)) i
s
ambig
u
ou
s
commit
|
commitdiff
|
tree
2017-10-04
Mark Abraham
E
n
able gr
o
up
-
sch
e
me SIM
D
with
GMX_SIM
D
=A
V
X2_128
commit
|
commitdiff
|
tree
2017-10-04
Alekse
i
Iupino
v
Ad
d
G
p
u
R
egionTimer
c
lass
commit
|
commitdiff
|
tree
2017-10-03
Mark Abraha
m
In
t
roduce and
u
se
Al
i
gnedAllocat
i
on
P
oli
c
y
commit
|
commitdiff
|
tree
2017-10-02
Ber
k
H
ess
Remove
h
ybri
d
gpu+cpu nonbonded mode
commit
|
commitdiff
|
tree
2017-09-26
Alekse
i
Iupinov
Move CUDA tex
t
u
re setup
c
o
de
from NB
CUDA
m
odul
e
to
.
.
.
commit
|
commitdiff
|
tree
2017-09-17
M
a
r
k Abra
h
am
Merge branch release-201
6
commit
|
commitdiff
|
tree
2017-09-15
Ber
k
H
e
ss
Remove nb-parameters from t_
f
orcerec
commit
|
commitdiff
|
tree
2017-09-15
Mark Ab
r
aham
Express intent of
m
a
t
rix release build type
s
e
x
plicitly
commit
|
commitdiff
|
tree
2017-09-15
Mar
k
A
braham
Bumped patch version for n
e
xt releas
e
commit
|
commitdiff
|
tree
2017-09-15
Mark Abraham
Vers
i
on 2016
.
4
commit
|
commitdiff
|
tree
2017-09-14
Aleksei Iupi
n
ov
Fix non-SIMD b
u
ild failing
commit
|
commitdiff
|
tree
2017-09-14
Szilárd Páll
CUDA 9/
V
olta suppor
t
for
th
e
p
r
uni
n
g ker
n
el
commit
|
commitdiff
|
tree
2017-09-14
Ma
r
k Abraham
For
m
taskassignment modul
e
commit
|
commitdiff
|
tree
2017-09-14
Mark Abraham
Fi
x
compat module
definition
commit
|
commitdiff
|
tree
2017-09-12
Erik Lindahl
Improve ac
c
uracy of SIMD
exp for small args
commit
|
commitdiff
|
tree
2017-09-12
Mark A
b
raham
M
erge branch release
-
2016
commit
|
commitdiff
|
tree
2017-09-12
Berk Hess
Do not pass state to in
i
t_re
p
lica_exchange
commit
|
commitdiff
|
tree
2017-09-11
Szilár
d
P
áll
NVID
I
A Volta
perfor
m
ance tweaks
commit
|
commitdiff
|
tree
2017-09-11
B
e
rk Hess
F
ix PBC bugs in the swap code
commit
|
commitdiff
|
tree
2017-09-07
Mark Abraham
I
n
trod
u
ce type-s
a
f
e
GPU em
u
l
a
tion variables
commit
|
commitdiff
|
tree
2017-09-07
Roland Schulz
Add isIntegralConst
a
nt type trait
commit
|
commitdiff
|
tree
2017-09-07
M
a
rk Abra
h
am
Enabl
e
group-scheme SIMD
kern
e
ls on recent
A
VX
extensions
commit
|
commitdiff
|
tree
2017-09-06
Roland Schulz
P
M
E-gather: Use
tem
p
l
ated fun
c
t
or instead
of preprocessor
commit
|
commitdiff
|
tree
2017-09-05
Christo
p
h Junghans
Supported quiet tr
a
jectory-
h
an
d
ling I/O
commit
|
commitdiff
|
tree
2017-09-05
Mark Abraham
Fixes
f
or
S
o
laris
commit
|
commitdiff
|
tree
2017-09-05
Mark Abraham
Fix us
e
of GPU infor
m
a
t
ion
for thread-MPI setup
commit
|
commitdiff
|
tree
2017-09-04
Be
r
k
Hess
Fix tw
o
nbnxn se
a
rch indexing bug
s
commit
|
commitdiff
|
tree
2017-09-04
Roland Schu
l
z
Fix accurac
y
for cvtD
o
uble2Float/cprod
commit
|
commitdiff
|
tree
2017-09-04
Berk Hes
s
Consolid
a
te architecture boo
l
eans
commit
|
commitdiff
|
tree
2017-09-03
M
ark Abra
h
am
Fix
c
ompiler flags for usi
n
g MKL
commit
|
commitdiff
|
tree
2017-09-03
Mark
A
bra
h
a
m
M
e
r
g
e b
r
anch release-5-1
i
nto r
e
lease-2016
commit
|
commitdiff
|
tree
2017-08-25
M
a
rk Abr
a
h
am
Fix flat-bo
t
t
omed position
r
estraints with multi
p
le
.
.
.
commit
|
commitdiff
|
tree
2017-08-22
M
a
rk A
b
raham
Run GPU de
t
ection
e
ven for mdrun -nb
c
p
u
commit
|
commitdiff
|
tree
2017-08-22
M
a
rk Abraham
F
i
x
ed thread-MPI with non-
d
efault -npme
commit
|
commitdiff
|
tree
2017-08-22
Mark Abraham
Fix missin
g
d
e
c
l
aration
of GMX_UNUSED_VALUE
commit
|
commitdiff
|
tree
2017-08-22
Alekse
i
Iupinov
S
eparate PME sp
r
ead
and gather wa
l
lcy
c
le cou
n
ters
commit
|
commitdiff
|
tree
2017-08-22
Berk Hess
Enable
d
ynamic pair list pruning
commit
|
commitdiff
|
tree
2017-08-22
Mark
A
brah
a
m
Merge
b
ran
c
h releas
e
-2
0
16
commit
|
commitdiff
|
tree
2017-08-21
Teemu Murto
l
a
Simp
l
e
unio
n
-find str
u
cture
commit
|
commitdiff
|
tree
2017-08-21
Mark Abraham
Moved incre
a
se_nstlist()
t
o
n
b
nxn_tuni
n
g
.
h
commit
|
commitdiff
|
tree
2017-08-21
M
a
rk Abrah
a
m
Fix compilation issues with ARM SIMD
commit
|
commitdiff
|
tree
2017-08-21
Szilárd Páll
Add Ope
n
CL prun
i
ng kernels and launch/timi
n
g logic
commit
|
commitdiff
|
tree
2017-08-18
Sz
i
lár
d
Pá
l
l
Improv
e
a
w
k
ward
handlin
g
of GMX_CUDA_T
A
RGET* help
commit
|
commitdiff
|
tree
2017-08-18
Vedran
Miletić
Impro
v
e the "f
i
les no
t
pre
s
ent
"
error message
commit
|
commitdiff
|
tree
2017-08-18
Szilárd Páll
A
dd CUDA pruning kernels
a
nd launch/timi
n
g lo
g
i
c
commit
|
commitdiff
|
tree
2017-08-18
Ber
k
Hess
Add
CPU reference
and SIMD pruni
n
g ker
n
e
l
s
commit
|
commitdiff
|
tree
2017-08-17
Mar
k
Abraham
R
eplac
e
consistency checking wit
h
assertion
commit
|
commitdiff
|
tree
2017-08-16
Be
r
k H
e
ss
Add
dynamic
p
air-list pruning fra
m
ework
commit
|
commitdiff
|
tree
2017-08-16
Berk H
e
ss
Clea
n
up
nbnxn c
l
uster p
a
ir
a
ddition
c
ode
commit
|
commitdiff
|
tree
2017-08-16
Mar
k
Abraham
Parse u
s
er-supplied GPU
task a
s
signment only when needed
commit
|
commitdiff
|
tree
2017-08-15
David van der Spoel
Wo
r
ked arou
n
d missi
n
g Open
M
P implementa
t
ion in orires
.
commit
|
commitdiff
|
tree
2017-08-15
Mark
Abraham
Merge branch r
e
lease-5-1 int
o
release-2016
commit
|
commitdiff
|
tree
2017-08-15
Jiri Kraus
CUDA 9
/
Volta
support for the nonbonded module
commit
|
commitdiff
|
tree
2017-08-15
Mark Abr
a
h
a
m
F
ix value of Ewald shift
commit
|
commitdiff
|
tree
2017-08-07
Ma
r
k Ab
r
a
ham
Fix incl
u
de dependency
f
or geten
v
commit
|
commitdiff
|
tree
2017-08-06
Mark Abraham
Simpl
i
fy resour
c
e-division efficiency check
commit
|
commitdiff
|
tree
2017-08-06
Mark
A
bra
h
am
Decou
p
le t
a
sk as
s
ign
m
ent from
t
ask
e
x
ec
u
tion
commit
|
commitdiff
|
tree
2017-08-06
Mark Abraham
Rem
o
ved u
n
u
s
ed
host
-
side allocation cod
e
commit
|
commitdiff
|
tree
2017-08-04
Mark Abraham
Stop using
hwinfo_g for reporting code
commit
|
commitdiff
|
tree
2017-08-03
Mark Abraham
Re
m
oved unus
e
d incl
u
de stateme
n
ts
commit
|
commitdiff
|
tree
2017-08-03
Berk He
s
s
Add chec
k
for nr of
o
rientation restra
i
nts
commit
|
commitdiff
|
tree
2017-08-03
Be
r
k Hess
F
ix bug
s
with orie
n
ta
t
ion restr
a
ints
commit
|
commitdiff
|
tree
2017-08-03
Carsten
Kutzner
Added mi
s
sing
.
mdp
fil
e
docu
m
entatio
n
for th
e
enforced
.
.
.
commit
|
commitdiff
|
tree
2017-08-02
Berk Hess
Clean up mat
r
ix
inversion
commit
|
commitdiff
|
tree
2017-08-02
Berk Hess
Fix
o
rientation restraint referen
c
e
commit
|
commitdiff
|
tree
2017-08-02
David van der Spoel
Worked a
r
ound missing OpenMP i
m
plem
e
ntation in o
r
ires
.
commit
|
commitdiff
|
tree
2017-08-01
Mark A
b
ra
h
a
m
Introduce
d
Mdrunner high-level class
commit
|
commitdiff
|
tree
2017-07-28
David van
der Spoel
Added unit-
t
e
st for orientati
o
n restraints
o
ut
p
ut
.
commit
|
commitdiff
|
tree
2017-07-27
Mar
k
Abra
h
am
Enhance
c
make and releng handlin
g
of GMX_U
S
E
_RDTSCP
commit
|
commitdiff
|
tree
2017-07-27
Szilárd Páll
Info
r
m
users abou
t
t
h
e end of run DLB state
commit
|
commitdiff
|
tree
2017-07-19
David
v
an
d
er Spo
e
l
Removed unnecessa
r
y static declarations for command
.
.
.
commit
|
commitdiff
|
tree
2017-07-14
Mark
A
b
ra
h
am
Impleme
n
ted
grompp -po for options-style md
p
handli
n
g
commit
|
commitdiff
|
tree
2017-07-14
Mark
Abraham
C
lean up cmake build
h
o
st det
e
ctio
n
commit
|
commitdiff
|
tree
2017-07-13
Mark Abraham
Clean up gmx_mdrun()
commit
|
commitdiff
|
tree
2017-07-13
M
a
r
k Abraham
Cle
a
ned
u
p
m
drunner_start_thr
e
ads
commit
|
commitdiff
|
tree
2017-07-11
Rolan
d
Schul
z
PME-ga
t
her:
m
a
ke vari
a
bles
local and const
commit
|
commitdiff
|
tree
2017-07-11
Teemu Murtola
Su
p
p
o
rt
s
c
oped k
e
y-value tr
e
e
t
ransf
o
rm rules
commit
|
commitdiff
|
tree
2017-07-07
Mark Abraham
Refa
c
tor error handling
i
n init_
g
pu
commit
|
commitdiff
|
tree
2017-07-04
M
ark Abraham
Clean up pick_nbnxn_resources
commit
|
commitdiff
|
tree
2017-07-01
Mar
k
Abraham
Cle
a
n
e
d up GPU emulatio
n
logic
commit
|
commitdiff
|
tree
2017-06-30
Teemu Murtola
Fix boo
l
e
an serialization
commit
|
commitdiff
|
tree
2017-06-30
Teemu
M
ur
t
ola
E
xte
n
d key-value
t
ree com
p
a
rison and
t
es
t
s
commit
|
commitdiff
|
tree
2017-06-28
Mark Abraham
Cleaned
up high-level boolea
n
var
i
able namin
g
commit
|
commitdiff
|
tree
2017-06-28
M
a
rk Abraham
Fix speci
f
ic
a
t
i
on
f
or gcc-6
commit
|
commitdiff
|
tree
2017-06-28
Mark A
b
raham
Mer
g
e branch r
e
lease-2016
commit
|
commitdiff
|
tree
2017-06-27
T
eem
u
Murtola
Do not use co
n
f-m
a
n
.
py for non-manpage d
o
c builds
commit
|
commitdiff
|
tree
2017-06-27
Mark
Ab
r
a
h
am
Minor improveme
n
ts to test configs
commit
|
commitdiff
|
tree
2017-06-26
E
r
ik Lindah
l
Fix ARM
NEON si
m
d d
e
bug builds
commit
|
commitdiff
|
tree
2017-06-26
S
z
i
l
ár
d
Páll
Add
A
R
M
_NEON
_
ASIMD post-sub
m
it te
s
t
commit
|
commitdiff
|
tree
2017-06-26
Jiri Kraus
Updat
e
d appl
i
cation
clock handling on Pasc
a
l+ GPUs
commit
|
commitdiff
|
tree
2017-06-22
Mark Abraham
Consolidated
l
ogic for choosing
number of t
h
read-MPI
.
.
.
commit
|
commitdiff
|
tree
2017-06-22
Mark
Abraha
m
Replace misna
m
ed
n
bnxn_g
p
u_accel
e
ration_supported
commit
|
commitdiff
|
tree
2017-06-22
Mark Abraham
Consol
i
date
a
nd fix logic for
mdrun -nb an
d
-gpuid
commit
|
commitdiff
|
tree
2017-06-21
Szilárd Páll
R
e
-e
n
a
b
l
e l
o
st DD warning +
minor
code modernizati
o
n
commit
|
commitdiff
|
tree
2017-06-21
Mark A
b
raham
Re
f
orm ngpu var
i
a
b
le
commit
|
commitdiff
|
tree
2017-06-21
M
ark Abraham
R
e
move
b
UserSet
G
p
u
Ids
f
ield
commit
|
commitdiff
|
tree
2017-06-12
Berk Hess
Disable PME t
u
n
i
ng with t
h
e group
scheme
commit
|
commitdiff
|
tree
2017-06-12
Mark
A
b
r
aham
Move gmx_parse_gpu_id out of c
h
ecking f
u
nctio
n
commit
|
commitdiff
|
tree
next