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Test clang on ARM in nightly matrix
2017-08-18
Szilár
d
Páll
Add CUDA pruning
k
ernels and launch/timing
l
ogic
commit
|
commitdiff
|
tree
2017-08-18
Be
r
k Hess
A
dd
C
P
U referenc
e
and SIMD pruning
kernels
commit
|
commitdiff
|
tree
2017-08-17
M
a
r
k
Abraham
Replace consistency checking wi
t
h ass
e
rtion
commit
|
commitdiff
|
tree
2017-08-16
Berk Hess
A
d
d
dynamic p
a
ir-li
s
t prun
i
n
g
framework
commit
|
commitdiff
|
tree
2017-08-16
B
erk Hess
Cl
e
a
n up
n
bnxn c
l
us
t
er p
a
ir addi
t
i
o
n cod
e
commit
|
commitdiff
|
tree
2017-08-16
Mar
k
Abraham
Parse user-supplied GPU task assignment
only when ne
e
ded
commit
|
commitdiff
|
tree
2017-08-15
D
a
vid van der Spo
e
l
Worked around
m
i
ssing Open
M
P
i
mplementation in or
i
res
.
commit
|
commitdiff
|
tree
2017-08-15
Mark Abraham
Merge branch
rel
e
ase-5-1 into release-2016
commit
|
commitdiff
|
tree
2017-08-15
J
iri Kraus
C
UDA 9/V
o
lt
a
support for
the nonbo
n
ded modul
e
commit
|
commitdiff
|
tree
2017-08-15
M
ark Abraham
Fix value of
E
w
ald
s
hift
commit
|
commitdiff
|
tree
2017-08-07
Mark A
b
rah
a
m
F
ix includ
e
de
p
endency for getenv
commit
|
commitdiff
|
tree
2017-08-06
Mark A
b
r
aham
Simplify resource-divis
i
o
n
efficiency c
h
eck
commit
|
commitdiff
|
tree
2017-08-06
Ma
r
k
Abraham
Decoup
l
e task assignment f
r
om task e
x
ecut
i
on
commit
|
commitdiff
|
tree
2017-08-06
Mark Abr
a
ham
Removed
unuse
d
host-si
d
e allocat
i
on code
commit
|
commitdiff
|
tree
2017-08-04
Mark Abraham
Stop
us
i
ng hwinfo
_
g
f
or reporting
code
commit
|
commitdiff
|
tree
2017-08-03
Mark Abraham
Removed unused
i
ncl
u
d
e statements
commit
|
commitdiff
|
tree
2017-08-03
Berk Hess
A
d
d c
h
eck for
nr of
orien
t
ation restraints
commit
|
commitdiff
|
tree
2017-08-03
B
e
rk Hess
Fix bugs with orientation restraints
commit
|
commitdiff
|
tree
2017-08-03
Carsten Kutzner
Add
e
d missing
.
mdp fi
l
e document
a
tion for the enforc
e
d
.
.
.
commit
|
commitdiff
|
tree
2017-08-02
Berk H
e
ss
Clean up matrix inversion
commit
|
commitdiff
|
tree
2017-08-02
Berk H
e
ss
F
ix orienta
t
ion restraint refere
n
ce
commit
|
commitdiff
|
tree
2017-08-02
D
avid van der S
p
oel
Worked around mis
s
ing Op
e
nMP implementation in orires
.
commit
|
commitdiff
|
tree
2017-08-01
Mark
A
b
raham
Introduce
d
M
drunner high-level
c
lass
commit
|
commitdiff
|
tree
2017-07-28
David van der Spoel
Added unit-test for orientat
i
o
n
restraints output
.
commit
|
commitdiff
|
tree
2017-07-27
M
a
rk Abraham
Enhan
c
e cmak
e
and rele
n
g ha
n
dling of GMX_USE_RD
T
SCP
commit
|
commitdiff
|
tree
2017-07-27
Szi
l
á
r
d Pál
l
Inform
users a
b
out
the en
d
of
ru
n
DLB state
commit
|
commitdiff
|
tree
2017-07-19
David van
der Spoel
Remove
d
unnec
e
ssary stati
c
de
c
la
r
at
i
ons f
o
r comma
n
d
.
.
.
commit
|
commitdiff
|
tree
2017-07-14
Mark
Abraham
I
mpleme
n
ted gro
m
pp -po f
o
r options-style mdp handling
commit
|
commitdiff
|
tree
2017-07-14
Mark Abraham
C
l
ean up cmak
e
build host detection
commit
|
commitdiff
|
tree
2017-07-13
Mark
Abraham
C
l
ean up gm
x
_m
d
r
u
n()
commit
|
commitdiff
|
tree
2017-07-13
Mark Abraham
Cl
e
aned up
m
dru
n
ner_sta
r
t
_threads
commit
|
commitdiff
|
tree
2017-07-11
Roland
S
c
hulz
PME-gathe
r
: make variables local and const
commit
|
commitdiff
|
tree
2017-07-11
T
eemu
Murtola
Suppo
r
t
s
coped
k
ey-val
u
e tree transform rules
commit
|
commitdiff
|
tree
2017-07-07
Mark Abraham
Refactor error
h
a
ndling in init_gpu
commit
|
commitdiff
|
tree
2017-07-04
Mark Abr
a
ham
Clean up pic
k
_nbnxn_re
s
ou
r
ces
commit
|
commitdiff
|
tree
2017-07-01
Mark Abr
a
ham
Cleaned up GPU emulation l
o
gic
commit
|
commitdiff
|
tree
2017-06-30
Teemu
Murto
l
a
Fix boolean
serial
i
zation
commit
|
commitdiff
|
tree
2017-06-30
Teemu Mur
t
ola
Extend key-value tree compari
s
on and
t
ests
commit
|
commitdiff
|
tree
2017-06-28
Mark Abraham
Cl
e
a
ned up h
i
gh-lev
e
l boolean vari
a
b
l
e na
m
i
ng
commit
|
commitdiff
|
tree
2017-06-28
Mark
Abraham
Fix specificat
i
on for gcc-6
commit
|
commitdiff
|
tree
2017-06-28
Mark Abraha
m
M
erge branch
r
e
l
e
a
se-201
6
commit
|
commitdiff
|
tree
2017-06-27
Teemu Murtola
Do not
u
se conf
-
man
.
py for non-ma
n
page doc bui
l
ds
commit
|
commitdiff
|
tree
2017-06-27
Mark
A
b
raham
M
inor improve
m
e
n
ts to test configs
commit
|
commitdiff
|
tree
2017-06-26
E
r
ik Lindah
l
Fix ARM NEON simd debug builds
commit
|
commitdiff
|
tree
2017-06-26
S
z
il
á
r
d P
á
ll
Add AR
M
_NEON_ASIM
D
post-submit
t
est
commit
|
commitdiff
|
tree
2017-06-26
Jiri Kra
u
s
U
pdated application clock
handling on Pa
s
cal+ GPUs
commit
|
commitdiff
|
tree
2017-06-22
M
ark A
b
raham
Consolid
a
t
e
d
l
o
g
ic for choosing number of thre
a
d
-
MPI
.
.
.
commit
|
commitdiff
|
tree
2017-06-22
Mark A
b
r
ah
a
m
Replac
e
misnamed nbnxn_gp
u
_acceleration_support
e
d
commit
|
commitdiff
|
tree
2017-06-22
Mark Ab
r
ah
a
m
Consolidate a
n
d
f
i
x
logic for mdrun -
n
b and -gpui
d
commit
|
commitdiff
|
tree
2017-06-21
Szilárd Pá
l
l
R
e-enable lost
DD
w
arning + minor code modern
i
z
ation
commit
|
commitdiff
|
tree
2017-06-21
Mark Abraham
Ref
o
r
m n
g
pu variab
l
e
commit
|
commitdiff
|
tree
2017-06-21
Mark Abra
h
am
Remove b
U
serSetGpuIds
field
commit
|
commitdiff
|
tree
2017-06-12
Be
r
k Hess
Disabl
e
PME
tuning with the g
r
oup scheme
commit
|
commitdiff
|
tree
2017-06-12
Mark
A
braham
Move gmx_p
a
rs
e
_
g
p
u
_i
d
out
o
f checking function
commit
|
commitdiff
|
tree
2017-06-12
Aleksei Iupino
v
Store a
p
h
y
s
i
c
a
l no
d
e co
m
m
u
n
i
cator in t_commrec
commit
|
commitdiff
|
tree
2017-06-11
Magnus
Lund
b
o
rg
Updated
T
N
G
t
o
v
ersion 1
.
8
commit
|
commitdiff
|
tree
2017-05-31
Ma
r
k Abraham
New quote
commit
|
commitdiff
|
tree
2017-05-29
T
eemu Murtola
Avoid
s
ome incorrect be
h
avior with
gmx so
l
va
t
e
commit
|
commitdiff
|
tree
2017-05-29
Teemu Mur
t
ola
Remove p
b
cuti
l
<
-
> md
t
yp
e
s cy
c
lic dep
e
ndency
commit
|
commitdiff
|
tree
2017-05-29
Vedran Miletić
Sta
n
d
ar
d
ize
u
se of |Groma
c
s| in reST docs
commit
|
commitdiff
|
tree
2017-05-26
M
a
r
k Abraham
Test inv
s
ixthroo
t
f
u
nction as
i
ntended
commit
|
commitdiff
|
tree
2017-05-15
Mark Abraham
Updated use of co
m
p
i
ler
specifiers in testing
commit
|
commitdiff
|
tree
2017-05-15
Mark Abraham
U
pdat
e
d use of gcc-5 spec
i
fie
r
s
commit
|
commitdiff
|
tree
2017-05-15
M
ark Abr
a
ham
Up
d
a
te clang
static a
n
alyze
r
s
l
ave
t
o use
v
ersio
n
4
commit
|
commitdiff
|
tree
2017-05-14
Mark Abraham
Upd
a
te cla
n
g-4
commit
|
commitdiff
|
tree
2017-05-14
Justin Lemk
u
l
Clarifications
t
o
e
ditc
o
nf help
t
ext
.
commit
|
commitdiff
|
tree
2017-05-14
Jus
t
in Lemkul
Cl
a
r
ific
a
tions to editconf help text
.
commit
|
commitdiff
|
tree
2017-05-09
Mark Abraham
Fix formatting
o
f
MKL cmake docs
commit
|
commitdiff
|
tree
2017-05-09
M
ark Abraham
Merge branch
release-2016
commit
|
commitdiff
|
tree
2017-05-09
Mark Abraham
Cl
e
aned up memory us
a
g
e
in
g
mx
t
r
a
j
and
t
rjc
o
nv
commit
|
commitdiff
|
tree
2017-04-19
Berk Hess
Fix unu
s
e
d SIMD PME table kernel
commit
|
commitdiff
|
tree
2017-04-17
Mark Abr
a
ham
Minor
c
h
a
nge to GPU compatibility
reporting ha
n
dling
commit
|
commitdiff
|
tree
2017-04-17
Ma
r
k Abraham
Propose a post-submit matrix
commit
|
commitdiff
|
tree
2017-04-17
T
eemu Murtola
C
o
n
s
i
stent approach for whole
-
program tests
commit
|
commitdiff
|
tree
2017-03-31
Mark
A
braham
Me
r
ge bra
n
c
h release-201
6
commit
|
commitdiff
|
tree
2017-03-22
Mar
k
A
b
r
ah
a
m
Add section t
o
user
guide for
manag
i
ng simulat
i
ons
commit
|
commitdiff
|
tree
2017-03-17
M
.
E
r
ic Irrga
n
g
Add an extra verbose targe
t
for d
o
cs
commit
|
commitdiff
|
tree
2017-03-16
Sz
i
lárd Pál
l
Print code
of unknown OpenCL error
commit
|
commitdiff
|
tree
2017-03-14
Mark Abraha
m
Merge
bra
n
c
h rel
e
a
se-2016
commit
|
commitdiff
|
tree
2017-03-14
Mark Abraham
Bum
p
ed
v
ersion to p
r
epare for next patch re
l
e
a
s
e
commit
|
commitdiff
|
tree
2017-03-13
Mark Abraham
Version 2016
.
3
commit
|
commitdiff
|
tree
2017-03-13
Mark Abraham
Moderni
z
e write_in
p
fi
l
e
commit
|
commitdiff
|
tree
2017-03-13
Mark
A
braham
Modernize
read_
i
np
f
ile
commit
|
commitdiff
|
tree
2017-03-13
Ake Sandgren
Fix
t
une_
p
me det
e
ction of
GPU support
commit
|
commitdiff
|
tree
2017-03-13
Ake San
d
gren
Fi
x
spac
i
ng in tune_pme call to threa
d
-mpi mdrun
commit
|
commitdiff
|
tree
2017-03-09
Szilárd Páll
F
i
x
mdrun hangi
n
g up
o
n ex
i
t
w
ith sep P
M
E ranks
commit
|
commitdiff
|
tree
2017-03-07
Mark
A
br
a
ham
F
i
x min
o
r i
s
sues in gmx traj -av -a
f
commit
|
commitdiff
|
tree
2017-03-04
Te
e
mu Murtol
a
Remove MDModules use
f
r
o
m
mdlib
commit
|
commitdiff
|
tree
2017-03-04
Dav
i
d van der Spoe
l
Remove
s
rogu
e
printing to
x
v
g file
in gm
x
mi
n
di
s
t
commit
|
commitdiff
|
tree
2017-03-04
Teemu Murtol
a
Spli
t
md
module f
a
cets t
o
di
f
f
e
rent interfaces
commit
|
commitdiff
|
tree
2017-03-04
M
a
rk Abraham
F
i
x
es for
x
l compilers 13
.
1
.
5 on Power8
commit
|
commitdiff
|
tree
2017-02-20
Ma
r
k Abraham
Add t
e
sts for old g
m
x ene
r
gy functionality
commit
|
commitdiff
|
tree
2017-02-17
Mark Abraham
Use gmx::
M
utex and g
m
x::lock_guard to fix som
e
issues
commit
|
commitdiff
|
tree
2017-02-15
Mark
Abra
h
am
M
e
rge branch release-5-1 into
r
e
lease-
2
016
commit
|
commitdiff
|
tree
2017-02-14
Mark Abra
h
am
Redu
c
e compilation coupling
commit
|
commitdiff
|
tree
2017-02-10
Mark Abraham
Corr
e
cte
d
output of
g
mx do_dss
p
-sc
commit
|
commitdiff
|
tree
2017-02-09
Teemu M
u
r
t
ola
Mul
t
i
-rank
thread affinit
y
tests
commit
|
commitdiff
|
tree
2017-02-09
Mar
k
Abraham
C
omp
l
ete the
removal
o
f stateful
RNG
commit
|
commitdiff
|
tree
2017-02-09
Mark Abraham
Imp
r
ov
e
d
state
_
change_na
t
oms and used it
m
o
r
e
commit
|
commitdiff
|
tree
2017-02-09
Teem
u
Murtola
D
o
c
um
e
n
t
key-value tree transf
o
rms
and improve checks
commit
|
commitdiff
|
tree
next