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Stop using hwinfo_g for reporting code
2017-08-04
M
a
rk Abraham
S
top
u
sing hwinfo_g
for reporting co
d
e
commit
|
commitdiff
|
tree
2017-08-03
Mark Ab
r
aham
R
emoved unused i
n
clude st
a
tements
commit
|
commitdiff
|
tree
2017-08-02
Berk Hess
Clean up matrix inve
r
s
i
o
n
commit
|
commitdiff
|
tree
2017-08-02
B
e
r
k
Hess
Fix
o
rienta
t
ion restrain
t
refere
n
ce
commit
|
commitdiff
|
tree
2017-08-02
David van
d
er Spoel
Worked arou
n
d missin
g
O
pe
n
MP impleme
n
tatio
n
in o
r
ires
.
commit
|
commitdiff
|
tree
2017-08-01
Mark Abr
a
h
a
m
Intro
d
uced
M
d
r
u
nner
h
igh-le
v
el
class
commit
|
commitdiff
|
tree
2017-07-28
Davi
d
van de
r
Spoel
Added un
i
t-te
s
t for orientati
o
n
r
e
s
t
raints
o
utput
.
commit
|
commitdiff
|
tree
2017-07-27
Mark Ab
r
ah
a
m
Enhance cmake and releng hand
l
ing of GM
X
_USE_RDTSCP
commit
|
commitdiff
|
tree
2017-07-27
Szil
á
r
d
Páll
I
n
form
u
sers
a
bout
t
he end o
f
ru
n
D
L
B
s
tate
commit
|
commitdiff
|
tree
2017-07-19
David
v
a
n der
S
p
o
e
l
Remov
e
d unn
e
cessary
s
tatic declar
a
tions f
o
r comman
d
.
.
.
commit
|
commitdiff
|
tree
2017-07-14
M
a
rk Abraham
Implem
e
nted grompp -po
f
o
r
o
p
tions
-
style mdp ha
n
d
l
ing
commit
|
commitdiff
|
tree
2017-07-14
Mark A
b
raham
Clea
n
up cmake build host
d
e
t
ection
commit
|
commitdiff
|
tree
2017-07-13
M
a
rk Abraham
C
l
ean up gmx_m
d
run(
)
commit
|
commitdiff
|
tree
2017-07-13
Mar
k
Abraha
m
Cl
e
aned up mdrunner_st
a
rt_threads
commit
|
commitdiff
|
tree
2017-07-11
R
o
land Schulz
PME-gather: make variable
s
lo
c
al and const
commit
|
commitdiff
|
tree
2017-07-11
Teemu Mu
r
tola
S
u
pp
o
rt scope
d
key-va
l
ue t
r
ee trans
f
orm rules
commit
|
commitdiff
|
tree
2017-07-07
Mark Abraham
Refa
c
t
or error handling in init
_
gpu
commit
|
commitdiff
|
tree
2017-07-04
Mark Abraham
Clean
u
p pick_n
b
nxn_r
e
sourc
e
s
commit
|
commitdiff
|
tree
2017-07-01
Mark Abraham
Cleaned up GP
U
emulat
i
on logic
commit
|
commitdiff
|
tree
2017-06-30
T
eemu Murtola
Fix boole
a
n se
r
ialization
commit
|
commitdiff
|
tree
2017-06-30
Teemu Mu
r
tola
Extend key-value
t
ree comparison and tests
commit
|
commitdiff
|
tree
2017-06-28
Mark Abraham
Cleaned
u
p
h
igh-le
v
el bo
o
lean var
i
able naming
commit
|
commitdiff
|
tree
2017-06-28
Mar
k
Abraham
Me
r
g
e
branc
h
release-2016
commit
|
commitdiff
|
tree
2017-06-27
Teemu Mu
r
tol
a
Do not use con
f
-
m
an
.
p
y
for
n
on-ma
n
pag
e
d
oc
b
u
i
lds
commit
|
commitdiff
|
tree
2017-06-27
Mar
k
Abraham
Minor improvements to t
e
st
c
onfig
s
commit
|
commitdiff
|
tree
2017-06-26
Erik Lindahl
Fix ARM N
E
ON simd debug builds
commit
|
commitdiff
|
tree
2017-06-26
Szilárd P
á
ll
Add ARM_NEO
N
_ASIMD post-submi
t
test
commit
|
commitdiff
|
tree
2017-06-26
Jiri K
r
aus
Updated application clock handling on Pascal+
GPUs
commit
|
commitdiff
|
tree
2017-06-22
Ma
r
k Abraham
Co
n
s
olid
a
ted logic for choosing number of threa
d
-MP
I
.
.
.
commit
|
commitdiff
|
tree
2017-06-22
M
a
rk Abraha
m
Repla
c
e misnamed nbnxn_gpu_acceler
a
tion_
s
upported
commit
|
commitdiff
|
tree
2017-06-22
Ma
r
k Abraham
Consolidate
and fix log
i
c
f
or md
r
u
n
-nb and -gpuid
commit
|
commitdiff
|
tree
2017-06-21
Szilá
r
d
Páll
Re-enable
lost DD warning
+
minor code modernizati
o
n
commit
|
commitdiff
|
tree
2017-06-21
Mar
k
Abra
h
am
R
e
for
m
ngpu variable
commit
|
commitdiff
|
tree
2017-06-21
M
a
rk Abr
a
ham
Re
m
ove bUserSe
t
G
p
uIds field
commit
|
commitdiff
|
tree
2017-06-12
Mark Abraham
Move gmx_parse_gpu
_
id out of checking function
commit
|
commitdiff
|
tree
2017-06-12
Alekse
i
Iupinov
Store a phy
s
ical node com
m
unicator in t_commrec
commit
|
commitdiff
|
tree
2017-06-11
Ma
g
nus Lun
d
b
org
Updated TNG to version 1
.
8
commit
|
commitdiff
|
tree
2017-05-31
M
a
r
k Abraham
New
q
uote
commit
|
commitdiff
|
tree
2017-05-29
Teem
u
Mur
t
ola
Avoid some incorrect beh
a
vi
o
r
w
i
t
h
gmx
s
olvate
commit
|
commitdiff
|
tree
2017-05-29
Teemu Murtola
Remove pbcut
i
l
<-> md
t
y
p
es cy
c
l
i
c
d
e
pendency
commit
|
commitdiff
|
tree
2017-05-29
Vedran
M
i
letić
S
tandardi
z
e
u
se
of |Groma
c
s| in reST do
c
s
commit
|
commitdiff
|
tree
2017-05-26
Mark Abra
h
am
T
e
st invsix
t
hroot functio
n
as intended
commit
|
commitdiff
|
tree
2017-05-15
Mark
Ab
r
aham
Upda
t
ed use
o
f compiler specifiers in testin
g
commit
|
commitdiff
|
tree
2017-05-15
Mark
Abraham
Updated use of g
c
c-
5
specifiers
commit
|
commitdiff
|
tree
2017-05-15
Mark Abraham
Update clan
g
static ana
l
yz
e
r slave to use version 4
commit
|
commitdiff
|
tree
2017-05-14
Mark A
b
raham
U
p
date c
l
ang-4
commit
|
commitdiff
|
tree
2017-05-14
J
ustin
Lemk
u
l
C
lar
i
fications to editconf
h
elp text
.
commit
|
commitdiff
|
tree
2017-05-14
J
ust
i
n Lemk
u
l
Clarific
a
tions
t
o editconf help
text
.
commit
|
commitdiff
|
tree
2017-05-09
Mark Abraha
m
Fi
x
f
o
rmat
t
ing
o
f MKL cmake doc
s
commit
|
commitdiff
|
tree
2017-05-09
Mark
A
bra
h
am
Merge bra
n
ch release-2016
commit
|
commitdiff
|
tree
2017-05-09
Mark A
b
raham
C
leaned up mem
o
ry us
a
g
e
in
g
mx
traj
a
nd
t
r
jconv
commit
|
commitdiff
|
tree
2017-04-19
Berk
H
ess
Fix u
n
us
e
d
SIMD PME ta
b
le ke
r
nel
commit
|
commitdiff
|
tree
2017-04-17
M
ark A
b
rah
a
m
Min
o
r chan
g
e
to GPU compa
t
ibil
i
ty reporting handli
n
g
commit
|
commitdiff
|
tree
2017-04-17
M
a
rk Abraham
P
rop
o
se a post-subm
i
t matrix
commit
|
commitdiff
|
tree
2017-04-17
Teemu Murtola
Co
n
s
istent approach
for whole-program
t
est
s
commit
|
commitdiff
|
tree
2017-03-31
Mark Ab
r
aham
Me
r
ge
branch
release-2
0
16
commit
|
commitdiff
|
tree
2017-03-22
Mark
A
braha
m
Add
section to u
s
e
r g
u
ide
f
or managing simula
t
ions
commit
|
commitdiff
|
tree
2017-03-17
M
.
E
ric Irr
g
ang
A
d
d an ext
r
a
verbos
e
targ
e
t for d
o
cs
commit
|
commitdiff
|
tree
2017-03-16
Szilárd Pál
l
Print
code of unknown O
p
enC
L
er
r
or
commit
|
commitdiff
|
tree
2017-03-14
M
a
rk Abraham
Merg
e
b
ranch rele
a
s
e-2016
commit
|
commitdiff
|
tree
2017-03-14
Mark Ab
r
aham
Bum
p
e
d version to
prepare f
o
r next
patc
h
release
commit
|
commitdiff
|
tree
2017-03-13
Mark Abraham
Vers
i
o
n
2016
.
3
commit
|
commitdiff
|
tree
2017-03-13
M
ark Abraham
M
o
derni
z
e write_inpfil
e
commit
|
commitdiff
|
tree
2017-03-13
Mark Abra
h
am
Moderni
z
e
r
ead_in
p
file
commit
|
commitdiff
|
tree
2017-03-13
A
k
e Sandgren
Fix tune_pme
detection of GPU suppor
t
commit
|
commitdiff
|
tree
2017-03-13
Ake Sandgren
Fix sp
a
cing i
n
tune_p
m
e c
a
ll to thre
a
d-mpi mdrun
commit
|
commitdiff
|
tree
2017-03-09
Szilár
d
Pál
l
Fix mdrun hanging
u
pon e
x
it wi
t
h s
e
p PME ra
n
ks
commit
|
commitdiff
|
tree
2017-03-07
Mark Abraham
Fix mino
r
is
s
ues in
gm
x
traj -a
v
-a
f
commit
|
commitdiff
|
tree
2017-03-04
Te
e
mu
Murtola
R
emove MDModu
l
es use from mdlib
commit
|
commitdiff
|
tree
2017-03-04
Da
v
id van
d
e
r S
p
oel
R
e
mov
e
s r
o
gue printing to xvg file in gmx mindist
commit
|
commitdiff
|
tree
2017-03-04
Te
e
mu
M
u
rtola
Split md
module facets to different interfac
e
s
commit
|
commitdiff
|
tree
2017-03-04
Ma
r
k Abraha
m
F
ixes for x
l
compilers 13
.
1
.
5 on Power
8
commit
|
commitdiff
|
tree
2017-02-20
Mark Abraham
Add tests for old gmx energy funct
i
onality
commit
|
commitdiff
|
tree
2017-02-17
Mark Abraham
Use gm
x
:
:
Mu
t
ex and gmx::l
o
ck_g
u
ard to fix some issues
commit
|
commitdiff
|
tree
2017-02-15
Mark Abr
a
ham
Merge branch releas
e
-5-1
i
nto rel
e
ase-2016
commit
|
commitdiff
|
tree
2017-02-14
Mark Abraham
Reduce compila
t
ion coupling
commit
|
commitdiff
|
tree
2017-02-10
M
a
rk
Abraham
Corrected
o
utput
o
f gmx do
_
dssp -sc
commit
|
commitdiff
|
tree
2017-02-09
Teemu Murt
o
la
Multi-rank thread aff
i
ni
t
y t
e
sts
commit
|
commitdiff
|
tree
2017-02-09
M
ark Abraham
Complet
e
the rem
o
v
a
l of
s
t
a
tef
u
l RNG
commit
|
commitdiff
|
tree
2017-02-09
Mark Abraham
Improved state_
c
ha
n
ge
_
natoms and
u
sed it more
commit
|
commitdiff
|
tree
2017-02-09
Teem
u
Murtola
D
o
cu
m
ent key-va
l
ue tree transf
o
rms and improve checks
commit
|
commitdiff
|
tree
2017-02-08
Mar
k
Abra
h
am
Extend serialization to gmx_int
6
4
_t
commit
|
commitdiff
|
tree
2017-02-08
Teemu Murtol
a
Gen
e
ric KeyValu
e
Tree br
o
adcast
commit
|
commitdiff
|
tree
2017-02-08
Teemu Murt
o
la
Generic gmx check implementation
w
i
t
h KeyValueTree
commit
|
commitdiff
|
tree
2017-02-08
Teemu Murtola
Generic
gmx dump implementation f
o
r KeyValueTree
commit
|
commitdiff
|
tree
2017-02-08
Teemu
Murtola
G
e
neric t
p
r
h
andl
i
ng for ele
c
tric fiel
d
commit
|
commitdiff
|
tree
2017-02-08
Aleksei Iupinov
P
M
E f
o
rce ga
t
hering t
e
s
t
s
commit
|
commitdiff
|
tree
2017-02-08
Aleksei Iupino
v
Fix inv
a
li
d
tricli
n
ic box in the PME test data
commit
|
commitdiff
|
tree
2017-02-08
Mark Abr
a
h
am
G
i
ve MD
M
o
d
u
les responsibility for
option
h
andlin
g
commit
|
commitdiff
|
tree
2017-02-07
Vedran Mile
t
ić
Documen
t
running C
l
ang s
t
ati
c
analyzer
m
anually
commit
|
commitdiff
|
tree
2017-02-07
M
ark Abraham
Merge bra
n
c
h rel
e
as
e
-
2016
commit
|
commitdiff
|
tree
2017-02-07
M
ark Abrah
a
m
Bumped
v
ersion to
prepare for next patch release
commit
|
commitdiff
|
tree
2017-02-07
Ma
r
k A
b
rah
a
m
Version 2016
.
2
commit
|
commitdiff
|
tree
2017-02-07
Berk Hess
Add
mdp option chec
k
with deco
u
pled
modes
commit
|
commitdiff
|
tree
2017-02-05
Mark A
b
rah
a
m
Merge bran
c
h
relea
s
e-5-
1
into relea
s
e-2016
commit
|
commitdiff
|
tree
2017-02-03
Ma
r
k
A
b
ra
h
a
m
Remove typed
e
f
s
truct in so
m
e
md
t
ypes files
commit
|
commitdiff
|
tree
2017-01-31
Mark Abrah
a
m
M
e
r
ge bra
n
ch r
e
lease-5-1 into rele
a
s
e-2016
commit
|
commitdiff
|
tree
2017-01-24
Aleksei
Iupinov
PME s
p
line
c
o
m
puta
t
ion and charge spreading tests
commit
|
commitdiff
|
tree
2017-01-24
Szilárd Pá
l
l
Remove unused
argument in GPU kernels
commit
|
commitdiff
|
tree
2017-01-24
Aleksei Iupinov
Add cons
t
qualifier to
s
o
m
e PME spread arg
u
ments
commit
|
commitdiff
|
tree
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