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Fixes newly introduced bug in make_ndx.
2015-11-23
Ma
r
k Abraham
Up
d
ate and expand pr
e
-sub
m
it commit matri
x
commit
|
commitdiff
|
tree
2015-11-22
Mark Abraham
Fix generic group
-
s
c
heme kernel
table derefere
n
cing
commit
|
commitdiff
|
tree
2015-11-20
Mark Abra
h
am
Split wallcycle interface
commit
|
commitdiff
|
tree
2015-11-20
Mark Abraham
R
emove
ewcWAIT_G
P
U_NB_
L
_EST
commit
|
commitdiff
|
tree
2015-11-19
Mar
k
Abraham
S
i
mplified in
i
t and mdrun code
commit
|
commitdiff
|
tree
2015-11-16
Mark Ab
r
aham
Fix
u
se o
f
#i
f
vs #i
f
def
commit
|
commitdiff
|
tree
2015-11-16
Mark Ab
r
aham
R
emo
v
e t_adress
commit
|
commitdiff
|
tree
2015-11-16
M
a
rk
A
braha
m
Fix
AlignedAlloc
a
t
o
r wi
t
h MSVC2015 debug mode
commit
|
commitdiff
|
tree
2015-11-16
Mark Abraham
Remove
d
s
t
ate_glob
a
l from mdrun ene
r
gy-summation
commit
|
commitdiff
|
tree
2015-11-16
Mark Abraham
Re
m
ove "support" fo
r
twin-range with VV inte
g
r
ators
commit
|
commitdiff
|
tree
2015-11-16
Mark
Abraham
Merge branch rele
a
se
-
5-1
commit
|
commitdiff
|
tree
2015-11-15
Mark A
b
raham
Remove AdResS
commit
|
commitdiff
|
tree
2015-11-15
Mar
k
Abraham
Move responsibility for
FFT description string
commit
|
commitdiff
|
tree
2015-11-14
Mark
A
braham
M
o
ved all cool stuff to its own file
commit
|
commitdiff
|
tree
2015-11-14
Mark Abraham
F
ix wallti
m
e m
e
asurement with bgclang
commit
|
commitdiff
|
tree
2015-11-13
M
a
rk Abraham
Update inc
l
udesorter
.
py
commit
|
commitdiff
|
tree
2015-11-11
M
ark Ab
r
aham
Merg
e
releas
e
-5-0
i
nto
release-5-1
commit
|
commitdiff
|
tree
2015-11-10
Mark Ab
r
aham
Bump patch version
t
o
p
re
p
a
re
f
or 5
.
1
.
2
commit
|
commitdiff
|
tree
2015-11-05
Mar
k
A
b
r
a
ha
m
Move DD hashing to domdec module
commit
|
commitdiff
|
tree
2015-11-05
Mark A
b
raham
Handle another unused variable
commit
|
commitdiff
|
tree
2015-11-04
Mark Abraham
P
er
m
it matrix build with R
e
lWithDebInfo set
commit
|
commitdiff
|
tree
2015-11-04
Mark Abraham
Me
r
ge branch
release-5-1
commit
|
commitdiff
|
tree
2015-11-04
Mark A
b
raham
Even
l
ess moving
from unique_ptr
commit
|
commitdiff
|
tree
2015-11-04
Mark
Abraham
Version 5
.
1
.
1
commit
|
commitdiff
|
tree
2015-11-04
Mark
Abr
a
ham
Fix icc 16 issues
commit
|
commitdiff
|
tree
2015-11-04
Mark Ab
r
ah
a
m
S
top moving from unique_ptr whe
n
copy elision works
commit
|
commitdiff
|
tree
2015-11-03
Mark Abraham
Quiet
warnings w
i
th
c
l
a
n
g
-3
.
7
commit
|
commitdiff
|
tree
2015-11-03
M
a
rk Abraham
Merge bran
c
h r
e
lease-5-1
commit
|
commitdiff
|
tree
2015-11-02
M
ark Abraham
Replace boo
s
t::shared_pt
r
with std::shared_pt
r
commit
|
commitdiff
|
tree
2015-10-28
Mark Abraham
Us
e
d
e
f
ault al
i
gnment fo
r
OpenCL host
buffer
commit
|
commitdiff
|
tree
2015-10-28
M
a
r
k
Abr
a
ham
S
e
parate
wallcycle resp
o
nsibilit
i
es
commit
|
commitdiff
|
tree
2015-10-28
Mark Abraham
S
u
ppr
e
ss warnin
g
s w
h
en we have Ope
n
CL 2
.
0 sup
p
ort
commit
|
commitdiff
|
tree
2015-10-23
Mark Abraham
Improve implementation of cycle subcounting
commit
|
commitdiff
|
tree
2015-10-19
M
a
rk Abraham
Fix
c
ycle subc
o
unters
commit
|
commitdiff
|
tree
2015-10-16
Mark Abraham
A
d
d
Jen
k
ins options
m
atrix
to source repo
commit
|
commitdiff
|
tree
2015-10-14
Mark
Abraham
Merge release-5
-
0 into r
e
lease-
5
-1
commit
|
commitdiff
|
tree
2015-10-14
Mark Abra
h
am
Version bum
p
s af
t
er release
commit
|
commitdiff
|
tree
2015-10-14
Mark Abraham
S
i
mp
l
ify genconf
commit
|
commitdiff
|
tree
2015-10-14
Mark Abraham
Version 5
.
0
.
7
commit
|
commitdiff
|
tree
2015-10-13
Mark Abraham
Mer
g
e br
a
nch r
e
lease-4-6 into release-5
-
0
commit
|
commitdiff
|
tree
2015-10-09
M
ark
Ab
r
aham
Re
m
o
ve CGL
O
_RERUNMD
commit
|
commitdiff
|
tree
2015-10-07
Mark Abr
a
ham
Merge bran
c
h r
e
le
a
se-5-1 into maste
r
commit
|
commitdiff
|
tree
2015-10-07
Mark Abraham
Fixed FFTW detection status
m
essage location
commit
|
commitdiff
|
tree
2015-10-05
Mark A
b
raham
Merg
e
release-5-
0
into r
e
lease-5-1
commit
|
commitdiff
|
tree
2015-10-05
Mark
A
br
a
h
a
m
M
e
rge "Merge branch release-5-1 into master"
commit
|
commitdiff
|
tree
2015-10-03
Mark A
b
r
aham
Fix Fi
n
dFFTW behaviour
commit
|
commitdiff
|
tree
2015-10-03
M
a
rk Abraham
F
i
x m
d
run -nb auto -rerun with GPU and energy gro
u
ps
commit
|
commitdiff
|
tree
2015-10-02
Mark Abraham
Temporarily test on a
m
a
ch
i
ne with only two GPUs
commit
|
commitdiff
|
tree
2015-09-29
M
a
r
k
A
brah
a
m
Cl
e
an up of tables code
commit
|
commitdiff
|
tree
2015-09-29
M
a
rk Abraham
Mov
e
tables
.
c to new modul
e
and C++
commit
|
commitdiff
|
tree
2015-09-29
Mark
A
b
raham
H
a
r
d-code fewer
t
h
i
ngs in tabl
e
code
commit
|
commitdiff
|
tree
2015-09-28
Mark
A
braham
Elimin
a
te use of
t
ypedefs
.
h in ker
n
el C co
d
e
commit
|
commitdiff
|
tree
2015-09-26
Mark
Abraham
Fix react
i
o
n-fiel
d
warn
i
ng message
commit
|
commitdiff
|
tree
2015-09-16
Mark Abraha
m
Re
m
ove G
M
X_NOCHARGEGRO
U
PS
commit
|
commitdiff
|
tree
2015-09-15
Mark Abraha
m
M
erge
b
r
a
n
ch release-5-1
commit
|
commitdiff
|
tree
2015-09-12
Mark Abraham
Clea
n
up tpxio
.
c
p
p
commit
|
commitdiff
|
tree
2015-09-09
Mark Abraha
m
R
e
duce misuse of
f
atalerror
.
h
commit
|
commitdiff
|
tree
2015-09-06
Mark Abraham
Add GROM
A
CS 5 paper t
o
pape
r
lists
commit
|
commitdiff
|
tree
2015-09-04
M
ark Abraham
Fix re
c
ent t
p
r cha
n
ge
commit
|
commitdiff
|
tree
2015-09-03
Mark Abraham
Never
o
perate on
f
or
c
e
array
in
.
tpr
commit
|
commitdiff
|
tree
2015-08-28
Mark Ab
r
aha
m
Keep hw_opt more co
n
s
t
commit
|
commitdiff
|
tree
2015-08-19
Ma
r
k Abraham
H
ar
d
en FindSphinx
.
c
make
commit
|
commitdiff
|
tree
2015-08-17
M
a
rk Abraha
m
Remove infrastru
c
t
u
re
for
g
m
x
p
r
otonate
commit
|
commitdiff
|
tree
2015-08-14
Mark
A
b
r
a
ham
Merge branch re
l
ease-5-1
in
t
o mas
t
e
r
commit
|
commitdiff
|
tree
2015-08-14
Mark Abra
h
am
Bump pa
t
ch version to
p
repare for 5
.
1
.
1
commit
|
commitdiff
|
tree
2015-08-14
Ma
r
k Abraham
Version
5
.
1
commit
|
commitdiff
|
tree
2015-08-13
Mark Abraham
Make i
t
easier to find selection h
e
lp
commit
|
commitdiff
|
tree
2015-08-13
Mark Ab
r
aha
m
Make it eas
i
er to
f
ind selection help
commit
|
commitdiff
|
tree
2015-08-13
M
a
rk Abraham
Re-enab
l
e multi-GPU s
u
pp
o
rt in Open
C
L for t
h
r
e
ad
MPI
commit
|
commitdiff
|
tree
2015-08-13
Mar
k
Abraham
Docume
n
tation f
i
xes
commit
|
commitdiff
|
tree
2015-08-13
Mark Abraham
A
voi
d
FP exception with
empt
y
.
mdp file
commit
|
commitdiff
|
tree
2015-08-12
Mark A
b
ra
h
am
A
d
d doc
u
mentation for e
n
ergygrps with GP
U
s
commit
|
commitdiff
|
tree
2015-08-12
M
a
rk Abraham
Add to aut
h
or lists
commit
|
commitdiff
|
tree
2015-08-11
Mark Abraham
Ab
o
rt if P
M
E tu
n
ing
is active
and counters reset
commit
|
commitdiff
|
tree
2015-08-10
Mar
k
Abr
a
ha
m
Requir
e
tun
e
_pme to
t
a
ke
-
mdrun par
a
met
e
r
commit
|
commitdiff
|
tree
2015-08-08
Mark
Abraham
Merge
b
r
anch release-5-0 in
t
o
release-5-1
commit
|
commitdiff
|
tree
2015-08-08
Mar
k
Abraham
Fi
x
docs of ftypes of dihedrals
commit
|
commitdiff
|
tree
2015-08-06
Mark Abraham
F
i
x FindNV
M
L
.
cmak
e
commit
|
commitdiff
|
tree
2015-08-06
Mark
Abraha
m
Fi
x
thread-af
f
inity
ch
e
c
king
commit
|
commitdiff
|
tree
2015-08-05
Mark Abraham
Fix em dash
i
n new reference
commit
|
commitdiff
|
tree
2015-08-04
M
ark
Abraham
Merge release-5-0
i
nto
r
eleas
e
-5-1
commit
|
commitdiff
|
tree
2015-08-03
Mark
Abrah
a
m
Fi
x
u
se of wrongly-n
a
med GC
C
min
o
r
-version variab
l
e
commit
|
commitdiff
|
tree
2015-08-03
Mark Abraham
Fix possi
b
le
link
i
ng
of
l
ibxml2 to zlib
commit
|
commitdiff
|
tree
2015-07-26
Mark Abrah
a
m
Conve
r
t s
o
me mdrun utility cod
e
t
o
C++
commit
|
commitdiff
|
tree
2015-07-26
Mar
k
Abraham
Merge
b
ranch rel
e
a
se-5-0 int
o
release-5-
1
commit
|
commitdiff
|
tree
2015-07-26
M
a
rk Abraham
Stop mdrun pr
i
nting pote
n
tially undef
i
ned valu
e
commit
|
commitdiff
|
tree
2015-07-26
M
a
rk Abraham
Version bu
m
p
s aft
e
r
new release
commit
|
commitdiff
|
tree
2015-07-24
Mark Abraham
Merge
b
ranch re
l
ease-5-1
commit
|
commitdiff
|
tree
2015-07-24
Mark Abraham
V
e
r
sion 5
.
0
.
6
commit
|
commitdiff
|
tree
2015-07-19
Mark Abraham
Update a
d
vice ab
o
ut grompp -t
commit
|
commitdiff
|
tree
2015-07-14
Mark Abra
h
a
m
C
o
nvert
e
d gmxpreprocess to compile
a
s C++
commit
|
commitdiff
|
tree
2015-07-08
Mark Abr
a
ham
G
i
v
e
bTypeP
e
rturbed a
v
alid
initial value
commit
|
commitdiff
|
tree
2015-07-08
Mark Abr
a
ha
m
Fix grom
p
p
.
e
d
r IO estimate
f
or
free-energy calcs
commit
|
commitdiff
|
tree
2015-07-06
M
a
r
k
Abra
h
am
First 5
.
1
r
elease
c
andidate
commit
|
commitdiff
|
tree
2015-07-03
M
a
rk A
b
ra
h
am
Fi
x
ThreadMPI
G
PU assum
p
tio
n
s
commit
|
commitdiff
|
tree
2015-06-30
M
a
rk Abraham
D
o
cument
h
ow to add
a
nd use
NVML s
u
pp
o
rt
commit
|
commitdiff
|
tree
2015-06-30
Mark Ab
r
aham
A
v
o
i
d GP
U
data race al
s
o w
i
t
h Ope
n
CL
commit
|
commitdiff
|
tree
2015-06-30
M
a
rk Abraham
Add suppo
r
t
f
or f
l
ushing WDDM queue
commit
|
commitdiff
|
tree
2015-06-29
Mark Abraham
Merge "
M
erge branch release-5-0"
commit
|
commitdiff
|
tree
2015-06-29
Mark Abraham
Me
r
ge branch release-5-0
commit
|
commitdiff
|
tree
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