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Avoid FP exception
2016-01-28
Mar
k
Ab
r
a
ham
Avoid F
P
exception
commit
|
commitdiff
|
tree
2016-01-27
Mark
A
br
a
h
am
Re
m
ove
b
N
otLastFrame
commit
|
commitdiff
|
tree
2016-01-25
Mark Abraham
Merge branch rele
a
se-5-
1
commit
|
commitdiff
|
tree
2016-01-12
Mark Abr
a
h
a
m
Merge branch release-5-0 i
n
to rele
a
se-5-1
commit
|
commitdiff
|
tree
2016-01-08
Mark Abr
a
ham
Merge
bra
n
ch rel
e
ase-5-1
commit
|
commitdiff
|
tree
2016-01-07
Mark A
b
raham
Fix some
m
dru
n
header depend
e
ncies
commit
|
commitdiff
|
tree
2016-01-07
Mark
A
braham
Avoid mor
e
C++ b
i
n
dings for
M
PI
commit
|
commitdiff
|
tree
2016-01-07
Mark Ab
r
aham
Stop us
i
ng UNDEFINED
a
s name of
a
symbol
commit
|
commitdiff
|
tree
2016-01-07
Mark Abrah
a
m
Remove f
i
el
d
s
u
s
e
d only fo
r
SD2
commit
|
commitdiff
|
tree
2016-01-07
Mark Abraham
Backport m
d
-vv
fixes
commit
|
commitdiff
|
tree
2016-01-06
Mark Abr
a
ham
Fix spuri
o
u
s
gcc warnin
g
commit
|
commitdiff
|
tree
2015-12-29
Be
r
k
H
es
s
C
o
rrect vector
c
heck of gm
x
ch
e
ck
commit
|
commitdiff
|
tree
2015-12-29
Teemu Mur
t
ola
Pac
k
aging b
u
il
d
script for web site
commit
|
commitdiff
|
tree
2015-12-28
Mark Abraham
Merge
branch rel
e
ase-5-1
commit
|
commitdiff
|
tree
2015-12-27
Mark Abraham
Fix some
OpenCL issu
e
s
commit
|
commitdiff
|
tree
2015-12-27
Berk Hess
Reorga
n
ized domdec initialization
commit
|
commitdiff
|
tree
2015-12-24
Mar
k
Abraham
Shell
cod
e
cleanup
commit
|
commitdiff
|
tree
2015-12-24
Erik
L
i
ndah
l
IBM Power6 VMX extend
e
d SIMD
commit
|
commitdiff
|
tree
2015-12-17
Mar
k
Abraham
S
i
mplifie
d
ene
r
gy-summat
i
on
code
commit
|
commitdiff
|
tree
2015-12-16
B
e
r
k Hess
Add one ele
m
ent
t
o
s
tate rve
c
a
r
rays
commit
|
commitdiff
|
tree
2015-12-15
Erik Lindahl
C++
math fun
c
tion clea
n
up
commit
|
commitdiff
|
tree
2015-12-15
Tee
m
u Murtola
M
ove main
.
*
, splitter
.
*, gmx_omp_nthread
s
.
*
t
o
mdlib
commit
|
commitdiff
|
tree
2015-12-15
T
e
e
mu Murtola
Move re
a
dinp
.
* and warn
i
np
.
*
to
fileio/
commit
|
commitdiff
|
tree
2015-12-15
T
ee
m
u
M
urtola
Move hardware detecti
o
n to
h
ardwa
r
e/
commit
|
commitdiff
|
tree
2015-12-15
Teemu Murtola
Mov
e
some mdrun
c
ode out of
g
mxlib/
commit
|
commitdiff
|
tree
2015-12-12
Teemu M
u
rtola
Move
d
i
sre
.
* and orires
.
* to listed-forces/
commit
|
commitdiff
|
tree
2015-12-12
Te
e
mu
M
u
rtola
Mov
e
put_atoms_in_box_omp()
t
o sim
_
util
.
*
commit
|
commitdiff
|
tree
2015-12-12
T
e
e
m
u Murtola
Re
m
o
v
e topology
-> fileio
dependency
commit
|
commitdiff
|
tree
2015-12-10
Mark Ab
r
aham
Merge bra
n
ch 'origin/r
e
lease
-
5-1'
commit
|
commitdiff
|
tree
2015-12-08
M
a
rk Abraham
Merge branch '
r
e
l
eas
e
-5
-
0' into release-5-1
commit
|
commitdiff
|
tree
2015-12-08
M
ark Abraham
Fix Trotter integ
r
ation
commit
|
commitdiff
|
tree
2015-12-03
Ma
r
k Abraham
Remov
e
mdrun -compact
commit
|
commitdiff
|
tree
2015-12-03
Tee
m
u
Murtola
Move str
d
b
.
* to utility/
commit
|
commitdiff
|
tree
2015-12-02
B
erk Hess
Made t_inpu
t
rec const in P
M
E load b
a
lanci
n
g
commit
|
commitdiff
|
tree
2015-12-02
Ma
r
k Abraha
m
Remove
twin-ra
n
ge scheme
commit
|
commitdiff
|
tree
2015-11-30
M
a
r
k Abraham
Refacto
r
h
a
rd
w
are information man
a
geme
n
t
commit
|
commitdiff
|
tree
2015-11-25
Elton Carvalho
Ro
t
ate Fig
u
r
e 8
.
2 in manual
.
commit
|
commitdiff
|
tree
2015-11-24
Mark Abraham
Fix error i
n
multi-si
m
communicatio
n
commit
|
commitdiff
|
tree
2015-11-23
Mark Abraham
Update and expand pre-submit commit
matrix
commit
|
commitdiff
|
tree
2015-11-16
M
a
r
k
Abrah
a
m
Remov
e
t_ad
r
ess
commit
|
commitdiff
|
tree
2015-11-16
Mar
k
A
bra
h
am
Remo
v
ed
state_
g
lobal
f
rom mdru
n
energy-
s
ummation
commit
|
commitdiff
|
tree
2015-11-16
Ma
r
k Abraham
M
erg
e
b
r
anch r
e
lease-5-1
commit
|
commitdiff
|
tree
2015-11-15
Mark
A
b
ra
h
am
Remove AdResS
commit
|
commitdiff
|
tree
2015-11-11
Mark Abraham
M
erge r
e
lease-5-0 in
t
o
r
elease-5-1
commit
|
commitdiff
|
tree
2015-11-10
Mark Abrah
a
m
Bump patc
h
versio
n
to
prepare for 5
.
1
.
2
commit
|
commitdiff
|
tree
2015-11-04
Mar
k
Abra
h
am
Merge branch rele
a
se
-
5-
1
commit
|
commitdiff
|
tree
2015-11-04
Mark Abraham
Even
l
ess m
o
ving from unique_ptr
commit
|
commitdiff
|
tree
2015-11-04
Mark Abraha
m
V
e
r
si
o
n 5
.
1
.
1
commit
|
commitdiff
|
tree
2015-10-28
Mark Ab
r
aham
Suppress
w
arnings
w
hen we have Ope
n
CL 2
.
0 suppor
t
commit
|
commitdiff
|
tree
2015-10-15
S
z
ilárd Páll
A
d
d
CUDA nv
c
c
>=7
.
0 su
p
port
commit
|
commitdiff
|
tree
2015-10-14
Mark Abrah
a
m
M
erge
r
el
e
ase-5-0 i
n
to release
-
5
-1
commit
|
commitdiff
|
tree
2015-10-14
Mark Ab
r
a
ha
m
Vers
i
on
bu
m
ps after release
commit
|
commitdiff
|
tree
2015-10-14
M
a
rk
Abrah
a
m
Simplify genconf
commit
|
commitdiff
|
tree
2015-10-14
Mark
A
b
raha
m
Ver
s
ion 5
.
0
.
7
commit
|
commitdiff
|
tree
2015-10-13
Ma
r
k Abrah
a
m
Merge branch rele
a
se-4-6 in
t
o release-5-0
commit
|
commitdiff
|
tree
2015-10-13
Erik Lindahl
Repla
c
e GROMACS-specific
math functions with C++11
.
.
.
commit
|
commitdiff
|
tree
2015-10-07
Mark Abraha
m
Merge br
a
nch rele
a
s
e
-5-1 into mast
e
r
commit
|
commitdiff
|
tree
2015-10-07
Mar
k
Abr
a
ham
Fixed FFTW detection status message locat
i
on
commit
|
commitdiff
|
tree
2015-10-05
Mark
A
brah
a
m
Merge release-5-0 into release-5-
1
commit
|
commitdiff
|
tree
2015-10-02
M
ark Abraha
m
Temporarily
test on a mach
i
ne with only
two GPUs
commit
|
commitdiff
|
tree
2015-09-28
Mar
k
Abraham
E
liminate use of
typedefs
.
h in kernel C
c
ode
commit
|
commitdiff
|
tree
2015-09-26
M
a
r
k Abraham
Fix reacti
o
n-field
w
arning mes
s
ag
e
commit
|
commitdiff
|
tree
2015-09-22
Te
e
mu Murtol
a
Move oenv
.
*
to
f
ilei
o
/
commit
|
commitdiff
|
tree
2015-09-16
Mark Abraham
Remove
G
MX_NOCHARG
E
GROU
P
S
commit
|
commitdiff
|
tree
2015-09-16
Sz
i
lard Pall
Fix OpenCL build
commit
|
commitdiff
|
tree
2015-09-15
M
a
rk A
b
raha
m
Merg
e
branch
r
elease-5-1
commit
|
commitdiff
|
tree
2015-09-10
Dav
i
d van der Spoel
Moved con
t
ent from mdru
n
.
h
t
o
se
p
arate head
e
r
s
.
commit
|
commitdiff
|
tree
2015-09-08
Te
e
mu M
u
rtola
Reduce coup
l
ing betwe
e
n
ref
d
at
a
and libxml
2
commit
|
commitdiff
|
tree
2015-09-03
M
a
rk Abraham
Never
o
perat
e
on
f
orce array in
.
tpr
commit
|
commitdiff
|
tree
2015-09-01
Te
e
mu Mur
t
ola
Build sc
r
i
p
ts for ne
w
r
eleng
commit
|
commitdiff
|
tree
2015-08-29
Teem
u
Murtola
R
e
mo
v
e
sepa
r
ate t
i
t
le par
a
meter for read_tps_co
n
f()
commit
|
commitdiff
|
tree
2015-08-19
Mark Abraham
Harden FindSphinx
.
cmake
commit
|
commitdiff
|
tree
2015-08-17
Mark
A
braham
R
e
m
ove infr
a
str
u
cture
f
or gmx protonate
commit
|
commitdiff
|
tree
2015-08-14
Mark
Abraham
Merge branch release-
5
-1 into
maste
r
commit
|
commitdiff
|
tree
2015-08-14
Mark Ab
r
aham
Bump pa
t
ch version to prepare fo
r
5
.
1
.
1
commit
|
commitdiff
|
tree
2015-08-14
Mark Abrah
a
m
V
er
s
i
o
n
5
.
1
commit
|
commitdiff
|
tree
2015-08-14
Berk Hess
Make mdrun -
n
t work again
commit
|
commitdiff
|
tree
2015-08-13
Mark Abraham
Make
i
t easier to find selection help
commit
|
commitdiff
|
tree
2015-08-12
Mark Abraham
Add docume
n
tation for
e
nergy
g
rps with GPUs
commit
|
commitdiff
|
tree
2015-08-11
Mark Abraham
A
b
ort if PME
t
un
i
ng is act
i
ve a
n
d
c
o
unters reset
commit
|
commitdiff
|
tree
2015-08-08
Mark Ab
r
aham
Merge branch re
l
ease-5-0 int
o
r
elease-5-1
commit
|
commitdiff
|
tree
2015-08-08
Mark Ab
r
a
h
am
Fix d
o
cs of ft
y
pes of dihedrals
commit
|
commitdiff
|
tree
2015-08-04
M
ark Abraha
m
Me
r
ge release-5-0 into release-5-
1
commit
|
commitdiff
|
tree
2015-08-03
M
a
rk
A
braham
Fix p
o
ssible
l
inki
n
g of li
b
xml2 t
o
zlib
commit
|
commitdiff
|
tree
2015-07-26
Mark Abraham
Merg
e
br
a
nch release-5
-
0 into
r
e
lease-5-1
commit
|
commitdiff
|
tree
2015-07-26
Ma
r
k Abraham
Vers
i
on bump
s
a
f
te
r
n
e
w release
commit
|
commitdiff
|
tree
2015-07-24
M
a
rk
A
b
raham
M
erge
branch release-
5
-1
commit
|
commitdiff
|
tree
2015-07-24
M
a
rk Abraham
Version 5
.
0
.
6
commit
|
commitdiff
|
tree
2015-07-24
Tee
m
u Mu
r
tol
a
Rename tr
n
io rout
i
nes
commit
|
commitdiff
|
tree
2015-07-08
Erik
L
inda
h
l
Mo
v
e FFT d
e
fin
e
s to
use cmakedefine01
commit
|
commitdiff
|
tree
2015-07-06
Mark Abra
h
am
F
i
rst 5
.
1 release candida
t
e
commit
|
commitdiff
|
tree
2015-07-06
B
er
k
H
e
s
s
Fix too small GPU pa
i
r count estimates
commit
|
commitdiff
|
tree
2015-07-06
Berk Hess
Fi
x
bug in G
P
U list
balancing
commit
|
commitdiff
|
tree
2015-06-29
Mar
k
A
braham
Me
r
ge branch release-5-0
commit
|
commitdiff
|
tree
2015-06-29
Mark Abraham
Documen
t
ed build types in developer gui
d
e
commit
|
commitdiff
|
tree
2015-06-29
M
a
rk
A
braham
Merge release-4-
6
into re
l
e
ase-5-0
commit
|
commitdiff
|
tree
2015-06-29
Mar
k
Abraham
Fix a
l
l
u
se o
f
n
bnxn_simd
.
h
commit
|
commitdiff
|
tree
2015-06-27
B
e
rk Hess
Improve pai
r
search
t
h
r
ead loa
d
balance
commit
|
commitdiff
|
tree
2015-06-27
Mark A
b
raham
Merge r
e
lease-5-0
i
nto master
commit
|
commitdiff
|
tree
2015-06-26
Mark Ab
r
aha
m
Mer
g
e release-4-6 into release-5
-
0
commit
|
commitdiff
|
tree
next