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Avoid FP exception
2016-01-28
Mark Abrah
a
m
Avoid FP excep
t
ion
commit
|
commitdiff
|
tree
2016-01-27
M
ark Abraham
Remove bNotLastFrame
commit
|
commitdiff
|
tree
2016-01-25
Mark Abraham
Merge branch rele
a
se
-
5-1
commit
|
commitdiff
|
tree
2016-01-24
M
a
rk Abra
h
am
Update references to HTML and online documentation
commit
|
commitdiff
|
tree
2016-01-14
Mark Abr
a
ham
Permit
c
ust
o
mized
testin
g
o
f
g
r
ompp
a
nd mdrun
commit
|
commitdiff
|
tree
2016-01-13
Mark Abraham
A
llowed
N
VML suppo
r
t to be toggl
e
d
commit
|
commitdiff
|
tree
2016-01-12
M
a
r
k Abraham
Merge br
a
n
ch releas
e
-5-0 into releas
e
-5-1
commit
|
commitdiff
|
tree
2016-01-11
Mar
k
A
b
r
a
ham
Impr
o
ved update_co
o
rds
commit
|
commitdiff
|
tree
2016-01-08
Mark Abra
h
am
I
m
p
rove
t
pr hea
d
er
v
e
rsio
n
handling
commit
|
commitdiff
|
tree
2016-01-08
M
ark Abra
h
am
Merge branch release-5-1
commit
|
commitdiff
|
tree
2016-01-07
M
a
rk Abraham
F
i
x some
mdrun header
d
ep
e
nden
c
ies
commit
|
commitdiff
|
tree
2016-01-07
Mark Abraham
Avoid more C++ bindings for
M
PI
commit
|
commitdiff
|
tree
2016-01-07
Mark
A
braham
Document
how p
o
tential-switch works
commit
|
commitdiff
|
tree
2016-01-07
M
ark A
b
raham
Sto
p
using UN
D
EFINED as
n
ame
of a symbol
commit
|
commitdiff
|
tree
2016-01-07
M
a
r
k
Abraham
Remov
e
fields
used only fo
r
SD
2
commit
|
commitdiff
|
tree
2016-01-07
Mar
k
A
b
raham
Backport md-vv fixe
s
commit
|
commitdiff
|
tree
2016-01-07
Mark Abraham
Remove SD2 integrator
commit
|
commitdiff
|
tree
2016-01-06
M
a
r
k
Abraham
Fix spur
i
ous gcc warning
commit
|
commitdiff
|
tree
2016-01-05
Mark Abraham
Fix logic f
o
r DD missin
g
-int
e
racti
o
ns ch
e
ck
commit
|
commitdiff
|
tree
2016-01-05
M
a
rk Abraham
U
se EX
P
ECT_
T
RUE and EXPECT_FALSE in
new
SIMD tests
commit
|
commitdiff
|
tree
2016-01-04
Mark Abraham
Change GMX_D
O
UB
L
E to be
alway
s
d
ef
i
ned
commit
|
commitdiff
|
tree
2015-12-28
Mark Abrah
a
m
Create invertmatrix
.
h
commit
|
commitdiff
|
tree
2015-12-28
Mark Abraham
Mer
g
e b
r
anch release-5-1
commit
|
commitdiff
|
tree
2015-12-27
Mark Abraham
Fix
s
ome OpenCL
issues
commit
|
commitdiff
|
tree
2015-12-24
Mark A
b
raham
Moved
r
espon
s
i
bili
t
y
f
or f_global
commit
|
commitdiff
|
tree
2015-12-24
Mark Abraham
Shell co
d
e cleanup
commit
|
commitdiff
|
tree
2015-12-17
M
a
rk Abraham
Simpl
i
fie
d
energy-s
u
mm
a
tion code
commit
|
commitdiff
|
tree
2015-12-12
Mark
Abra
h
am
Broke up copyright
.
*
commit
|
commitdiff
|
tree
2015-12-12
Mark A
b
raham
Require Nos
e
-Hoover with MTT
K
commit
|
commitdiff
|
tree
2015-12-11
Mark Abraham
Stop globa
l
communi
c
ation depending on
i
ntegrat
o
r
commit
|
commitdiff
|
tree
2015-12-10
M
a
r
k
Ab
r
aham
Merge branch '
o
ri
g
in/release-5-1'
commit
|
commitdiff
|
tree
2015-12-09
Mark Abraham
Update use
of
prepr
o
c
e
ssor in managing GPU
support
commit
|
commitdiff
|
tree
2015-12-08
Mark
Abraham
M
e
rge branch 'release
-
5-0'
into release-5-1
commit
|
commitdiff
|
tree
2015-12-08
Ma
r
k
Abraham
Fix Trotter integration
commit
|
commitdiff
|
tree
2015-12-03
Mark Abraham
Remove mdru
n
-compact
commit
|
commitdiff
|
tree
2015-12-02
Mark Abra
h
am
R
e
m
ov
e
tw
i
n-ra
n
ge scheme
commit
|
commitdiff
|
tree
2015-11-30
Mark A
b
raham
Refactor
h
a
rdware informa
t
ion management
commit
|
commitdiff
|
tree
2015-11-25
Mark Abr
a
ham
Fix logic of dd_
p
rint_m
i
ssing_interactions ex
i
t
commit
|
commitdiff
|
tree
2015-11-24
Ma
r
k Abraham
Fix error in multi-sim communication
commit
|
commitdiff
|
tree
2015-11-23
Mark Ab
r
aham
Update a
n
d expand
p
re-submit commit matrix
commit
|
commitdiff
|
tree
2015-11-22
Mark Abraham
Fi
x
gen
e
r
i
c
group
-
scheme kernel ta
b
le de
r
ef
e
rencing
commit
|
commitdiff
|
tree
2015-11-20
M
ar
k
Abraham
Split wallcy
c
l
e interface
commit
|
commitdiff
|
tree
2015-11-20
Mark Abraham
Remove ewcWAI
T
_GPU_NB
_
L_EST
commit
|
commitdiff
|
tree
2015-11-19
Mark Abraham
Simplified init and md
r
u
n cod
e
commit
|
commitdiff
|
tree
2015-11-16
Mark Abra
h
am
Fix
use
o
f
#if
v
s #ifdef
commit
|
commitdiff
|
tree
2015-11-16
Mark Abraham
R
emove t_adre
s
s
commit
|
commitdiff
|
tree
2015-11-16
M
a
rk Abraham
Fix
A
lignedAllocator with MSVC2015
d
ebug mod
e
commit
|
commitdiff
|
tree
2015-11-16
Mar
k
Ab
r
aham
Removed state_global from mdrun en
e
rgy-summ
a
ti
o
n
commit
|
commitdiff
|
tree
2015-11-16
Mark Abraham
Remove "support
"
f
or twin
-
range with VV integra
t
ors
commit
|
commitdiff
|
tree
2015-11-16
Mar
k
Abra
h
am
Merge bran
c
h release-5-
1
commit
|
commitdiff
|
tree
2015-11-15
Mar
k
Abra
h
am
Remo
v
e AdResS
commit
|
commitdiff
|
tree
2015-11-15
Mark Abraham
M
ove responsibili
t
y
f
or FFT descriptio
n
string
commit
|
commitdiff
|
tree
2015-11-14
Mark Abrah
a
m
M
ove
d
all coo
l
stuff
to its own file
commit
|
commitdiff
|
tree
2015-11-14
Mark Abra
h
am
Fix w
a
l
ltime measurement wi
t
h b
g
clang
commit
|
commitdiff
|
tree
2015-11-13
Mark Abraham
Update includ
e
sor
t
er
.
py
commit
|
commitdiff
|
tree
2015-11-11
Mark Abraham
Merge rele
a
se-5-0
into release-5
-
1
commit
|
commitdiff
|
tree
2015-11-10
Mark Abraham
Bump patch version
t
o prepare for 5
.
1
.
2
commit
|
commitdiff
|
tree
2015-11-05
Mark
Abraham
M
ov
e
D
D
h
ashing to
domdec m
o
dule
commit
|
commitdiff
|
tree
2015-11-05
Mark Abraham
Handle
a
n
other
u
nu
s
ed
v
ariable
commit
|
commitdiff
|
tree
2015-11-04
Mark Abraham
Permit matr
i
x
build w
i
th RelWithDeb
I
nfo set
commit
|
commitdiff
|
tree
2015-11-04
Mark
A
b
raham
Merge branch release-5-1
commit
|
commitdiff
|
tree
2015-11-04
Mark Ab
r
aham
Even less moving from un
i
q
u
e
_
ptr
commit
|
commitdiff
|
tree
2015-11-04
Mar
k
A
b
r
a
h
a
m
Version 5
.
1
.
1
commit
|
commitdiff
|
tree
2015-11-04
Mark Abrah
a
m
Fix icc 16 issues
commit
|
commitdiff
|
tree
2015-11-04
Mark Abraham
Stop moving fr
o
m un
i
q
ue_ptr when
c
opy eli
s
ion works
commit
|
commitdiff
|
tree
2015-11-03
Mark Abra
h
am
Q
uiet war
n
ing
s
with clang-3
.
7
commit
|
commitdiff
|
tree
2015-11-03
M
a
rk Abra
h
am
Merge branc
h
rele
a
se-5-1
commit
|
commitdiff
|
tree
2015-11-02
Mark Abraham
Replace boost::sh
a
red_p
t
r w
i
t
h
s
td::sh
a
red_ptr
commit
|
commitdiff
|
tree
2015-10-28
M
a
rk Abraham
U
s
e defa
u
lt a
l
ignment for OpenCL h
o
st buffe
r
commit
|
commitdiff
|
tree
2015-10-28
Mark Abraham
Separate w
a
l
lcycle resp
o
nsibil
i
ties
commit
|
commitdiff
|
tree
2015-10-28
Mark Abraha
m
Sup
p
ress warni
n
gs wh
e
n we have Ope
n
CL 2
.
0
s
upport
commit
|
commitdiff
|
tree
2015-10-23
Mark Abraham
Improve implement
a
tion
of
cycle
s
ubcounting
commit
|
commitdiff
|
tree
2015-10-19
Mark
Ab
r
aha
m
Fix cy
c
l
e su
b
counters
commit
|
commitdiff
|
tree
2015-10-16
Ma
r
k Abraham
Add Jenkins
o
ptions mat
r
ix to
so
u
rce repo
commit
|
commitdiff
|
tree
2015-10-14
Mark
A
braham
Merge release-5
-
0
i
nto release-5
-
1
commit
|
commitdiff
|
tree
2015-10-14
Ma
r
k Abraham
Ver
s
io
n
bu
m
ps
a
f
ter release
commit
|
commitdiff
|
tree
2015-10-14
Ma
r
k A
b
raham
Simplify gencon
f
commit
|
commitdiff
|
tree
2015-10-14
M
a
rk Abraham
Ver
s
ion 5
.
0
.
7
commit
|
commitdiff
|
tree
2015-10-13
Mark Ab
r
aham
Merge branch rel
e
a
s
e-4-6 i
n
t
o rele
a
s
e-5-
0
commit
|
commitdiff
|
tree
2015-10-09
Mark Abraham
R
e
move C
G
L
O
_RER
U
N
MD
commit
|
commitdiff
|
tree
2015-10-07
M
a
r
k Abrah
a
m
M
e
r
ge bra
n
ch release-5-1 into mast
e
r
commit
|
commitdiff
|
tree
2015-10-07
Mark Abraham
Fixed FFTW detec
t
ion
status message location
commit
|
commitdiff
|
tree
2015-10-05
Mar
k
Ab
r
a
ham
Merge release-5-0 into re
l
eas
e
-5-1
commit
|
commitdiff
|
tree
2015-10-05
Mark
Abra
h
am
Merge "Merge
branch release-5-1 into master"
commit
|
commitdiff
|
tree
2015-10-03
Mark A
b
raham
Fix Fi
n
dFFT
W
beh
a
viour
commit
|
commitdiff
|
tree
2015-10-03
M
a
rk Abraham
Fix mdrun -n
b
auto
-
rerun
w
i
th GPU
and energy gro
u
ps
commit
|
commitdiff
|
tree
2015-10-02
M
a
rk Abraham
Temp
o
rari
l
y test on a machine
w
ith only tw
o
GPUs
commit
|
commitdiff
|
tree
2015-09-29
Mark Abraha
m
Cle
a
n up of tables
code
commit
|
commitdiff
|
tree
2015-09-29
M
a
rk Abra
h
am
Move tables
.
c t
o
new m
o
d
u
le and C++
commit
|
commitdiff
|
tree
2015-09-29
Mark
Abraham
Hard-code fewe
r
things in table code
commit
|
commitdiff
|
tree
2015-09-28
Mark
Abr
a
ham
Eliminate use
of typedef
s
.
h in kern
e
l C code
commit
|
commitdiff
|
tree
2015-09-26
Mark Abraham
F
ix reaction-field
warning message
commit
|
commitdiff
|
tree
2015-09-16
Ma
r
k A
b
raham
Remove GMX_NO
C
HARGE
G
ROUPS
commit
|
commitdiff
|
tree
2015-09-15
Mark Abraha
m
Merge branch
release
-
5-1
commit
|
commitdiff
|
tree
2015-09-12
Mark A
b
raham
C
l
e
a
n up
t
pxio
.
c
pp
commit
|
commitdiff
|
tree
2015-09-09
Mark Abraham
Redu
c
e misuse
of fa
t
alerror
.
h
commit
|
commitdiff
|
tree
2015-09-06
M
a
rk
A
br
a
ham
Add GROMACS 5 paper t
o
pa
p
e
r
l
i
sts
commit
|
commitdiff
|
tree
2015-09-04
Mar
k
Ab
r
aham
Fix recent
t
pr chang
e
commit
|
commitdiff
|
tree
2015-09-03
Mark A
b
raham
Never operate
on force array in
.
tpr
commit
|
commitdiff
|
tree
2015-08-28
Ma
r
k Abraham
Keep hw_opt more
c
on
s
t
commit
|
commitdiff
|
tree
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