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Re-add support for linking against external TinyXML-2
2015-11-23
Mark Abrah
a
m
Update and expan
d
pre-subm
i
t
c
o
mmit mat
r
ix
commit
|
commitdiff
|
tree
2015-11-22
Ma
r
k Ab
r
aham
Fix generic g
r
oup-
s
cheme ke
r
nel table d
e
refer
e
ncing
commit
|
commitdiff
|
tree
2015-11-20
Mark Ab
r
aha
m
S
p
lit wallcycle i
n
te
r
face
commit
|
commitdiff
|
tree
2015-11-20
M
a
rk Abraham
Remove ewcWAIT_GPU_N
B
_
L_EST
commit
|
commitdiff
|
tree
2015-11-19
Mark Abraham
Simplified in
i
t and mdrun cod
e
commit
|
commitdiff
|
tree
2015-11-16
M
ark
A
b
raha
m
Fix use of #if vs
#
ifd
e
f
commit
|
commitdiff
|
tree
2015-11-16
Mark
Abraham
R
em
o
ve t
_
ad
r
e
ss
commit
|
commitdiff
|
tree
2015-11-16
Mark Abrah
a
m
Fi
x
A
lign
e
d
A
lloca
t
o
r
wi
t
h
M
SVC2015 debug mode
commit
|
commitdiff
|
tree
2015-11-16
Ma
r
k A
b
r
a
ham
Remo
v
e
d
state_
g
loba
l
from mdrun
e
n
e
rgy-summati
o
n
commit
|
commitdiff
|
tree
2015-11-16
M
a
r
k Abraha
m
Rem
o
ve "support" for tw
i
n
-
r
ange with VV integrato
r
s
commit
|
commitdiff
|
tree
2015-11-16
M
a
rk A
b
raham
Merge branch rele
a
s
e
-5-
1
commit
|
commitdiff
|
tree
2015-11-15
Mark
Abraham
R
e
move AdResS
commit
|
commitdiff
|
tree
2015-11-15
Mark Abra
h
am
Move responsibility
f
or FFT descr
i
p
t
io
n
s
t
rin
g
commit
|
commitdiff
|
tree
2015-11-14
Mar
k
Abraham
Moved all cool
stuff to its own fi
l
e
commit
|
commitdiff
|
tree
2015-11-14
Mark Abraham
Fix
w
alltim
e
measurem
e
nt with
b
gclang
commit
|
commitdiff
|
tree
2015-11-13
Mar
k
Ab
r
a
h
am
Upda
t
e
includesorter
.
py
commit
|
commitdiff
|
tree
2015-11-11
Mark Abraham
Merge release-5-0 into release
-
5-
1
commit
|
commitdiff
|
tree
2015-11-10
M
a
rk A
b
rah
a
m
Bump patch version to
prepare for 5
.
1
.
2
commit
|
commitdiff
|
tree
2015-11-05
M
a
r
k
Abraham
Move DD h
a
shing to domd
e
c module
commit
|
commitdiff
|
tree
2015-11-05
Ma
r
k Abraham
Handle anoth
e
r u
n
used
v
ariable
commit
|
commitdiff
|
tree
2015-11-04
Ma
r
k Ab
r
aham
P
e
r
m
it matrix build
with RelWithDebInfo set
commit
|
commitdiff
|
tree
2015-11-04
Mark A
b
raha
m
Merge branch release-5-
1
commit
|
commitdiff
|
tree
2015-11-04
Mark Abraham
E
v
en less
moving fr
o
m uniqu
e
_ptr
commit
|
commitdiff
|
tree
2015-11-04
M
a
rk
A
b
raham
Version 5
.
1
.
1
commit
|
commitdiff
|
tree
2015-11-04
Ma
r
k Abraham
F
i
x
icc 16 iss
u
es
commit
|
commitdiff
|
tree
2015-11-04
Mark Abr
a
h
a
m
Stop moving from unique_ptr when copy elision wo
r
ks
commit
|
commitdiff
|
tree
2015-11-03
Mark Abr
a
ham
Quiet
w
arnings with clang
-
3
.
7
commit
|
commitdiff
|
tree
2015-11-03
M
a
r
k
Abraham
M
erge branch relea
s
e-5-1
commit
|
commitdiff
|
tree
2015-11-02
Mark Abra
h
am
R
e
place
b
oost::
s
hared_ptr with std::shared_ptr
commit
|
commitdiff
|
tree
2015-10-28
M
ark Ab
r
aham
Use defau
l
t
alignment f
o
r OpenCL
h
ost buffer
commit
|
commitdiff
|
tree
2015-10-28
Mark
A
braham
S
eparate wall
c
ycle
responsibilities
commit
|
commitdiff
|
tree
2015-10-28
Mark
Abra
h
am
Suppress warning
s
when we
h
ave Open
C
L
2
.
0 support
commit
|
commitdiff
|
tree
2015-10-23
Mark Abraham
I
mprov
e
imple
m
ent
a
t
i
on o
f
cycle subcounting
commit
|
commitdiff
|
tree
2015-10-19
Mark Abrah
a
m
Fix cycle subcoun
t
ers
commit
|
commitdiff
|
tree
2015-10-16
M
a
r
k Abraham
Add Je
n
kin
s
options
m
atrix to source
repo
commit
|
commitdiff
|
tree
2015-10-14
Mark
A
b
raham
Merge release-
5
-0 in
t
o releas
e
-5-1
commit
|
commitdiff
|
tree
2015-10-14
Mark Ab
r
aham
Ver
s
ion bumps af
t
er relea
s
e
commit
|
commitdiff
|
tree
2015-10-14
Mark Abraha
m
Simplify genconf
commit
|
commitdiff
|
tree
2015-10-14
Mar
k
Ab
r
aha
m
Ve
r
sio
n
5
.
0
.
7
commit
|
commitdiff
|
tree
2015-10-13
Ma
r
k
A
b
rah
a
m
M
erge branch
r
el
e
a
s
e-4-6 into re
l
ease
-
5-
0
commit
|
commitdiff
|
tree
2015-10-09
Mark Abraham
Remove CGLO_RERUNMD
commit
|
commitdiff
|
tree
2015-10-07
Mark
A
braham
Merge bra
n
ch release-5-1 into m
a
ster
commit
|
commitdiff
|
tree
2015-10-07
Mark Abraham
Fixed FFTW detection
status message location
commit
|
commitdiff
|
tree
2015-10-05
M
ark
Abraham
Merge release-5-0 into rel
e
ase-5-1
commit
|
commitdiff
|
tree
2015-10-05
Mar
k
Abraham
Merge "Merge branc
h
release-5-1 in
t
o
master"
commit
|
commitdiff
|
tree
2015-10-03
Mark Abraham
Fix FindFFTW behaviour
commit
|
commitdiff
|
tree
2015-10-03
Mark Abraham
Fix mdru
n
-nb aut
o
-rer
u
n
with GPU
an
d
e
n
e
r
g
y
group
s
commit
|
commitdiff
|
tree
2015-10-02
M
ark Ab
r
aham
Temporari
l
y tes
t
on a ma
c
h
ine with only t
w
o
GPUs
commit
|
commitdiff
|
tree
2015-09-29
Mark Ab
r
aham
Clean up
o
f tables cod
e
commit
|
commitdiff
|
tree
2015-09-29
Mark Abraham
Move ta
b
les
.
c to new module and C++
commit
|
commitdiff
|
tree
2015-09-29
Mark
Abra
h
am
Hard-code fewer things i
n
table code
commit
|
commitdiff
|
tree
2015-09-28
Mark Abraham
E
liminate us
e
of typedefs
.
h in
k
ernel C c
o
d
e
commit
|
commitdiff
|
tree
2015-09-26
Mar
k
Abraham
Fix rea
c
tion-f
i
eld warn
i
ng message
commit
|
commitdiff
|
tree
2015-09-16
Mark Abraham
Remove GMX_NOCHARGEGROUPS
commit
|
commitdiff
|
tree
2015-09-15
Mar
k
A
braham
Merge br
a
nch
r
elease-5-1
commit
|
commitdiff
|
tree
2015-09-12
Mark Abraham
Clean
u
p tpxio
.
cpp
commit
|
commitdiff
|
tree
2015-09-09
M
ark Ab
r
aham
Reduce misu
s
e of fat
a
ler
r
or
.
h
commit
|
commitdiff
|
tree
2015-09-06
Mark A
b
rah
a
m
Add GROMACS 5 pape
r
to pa
p
er lists
commit
|
commitdiff
|
tree
2015-09-04
Mark Abra
h
am
F
ix recent t
p
r change
commit
|
commitdiff
|
tree
2015-09-03
Mark
Abrah
a
m
Never ope
r
ate
on force array in
.
t
pr
commit
|
commitdiff
|
tree
2015-08-28
Mar
k
Ab
r
aham
Keep hw_op
t
mo
r
e const
commit
|
commitdiff
|
tree
2015-08-19
Mark Abraham
Harden FindSphinx
.
cmake
commit
|
commitdiff
|
tree
2015-08-17
Mark Abraham
Remove infras
t
r
u
c
tur
e
for
g
m
x
proto
n
ate
commit
|
commitdiff
|
tree
2015-08-14
Ma
r
k Abraham
Merge b
r
anch release-5-1
i
nto master
commit
|
commitdiff
|
tree
2015-08-14
Mark Abraham
Bump patch vers
i
on to prepare
f
or 5
.
1
.
1
commit
|
commitdiff
|
tree
2015-08-14
Mark Abrah
a
m
Vers
i
on 5
.
1
commit
|
commitdiff
|
tree
2015-08-13
M
a
rk Abraham
Make it easier to find selecti
o
n help
commit
|
commitdiff
|
tree
2015-08-13
Mark Abraham
Mak
e
it
e
asier to fin
d
select
i
on help
commit
|
commitdiff
|
tree
2015-08-13
Mark Abraham
Re-enable multi-GPU support in O
p
enCL fo
r
thread MPI
commit
|
commitdiff
|
tree
2015-08-13
Mar
k
Abr
a
ham
D
ocumentat
i
on fixes
commit
|
commitdiff
|
tree
2015-08-13
Mark
A
braham
Avoid F
P
exception
w
ith empty
.
mdp file
commit
|
commitdiff
|
tree
2015-08-12
Mark Abr
a
ham
Add d
o
cu
m
entation for en
e
rg
y
grps
w
it
h
GPUs
commit
|
commitdiff
|
tree
2015-08-12
Mark Abraham
A
dd
to author lists
commit
|
commitdiff
|
tree
2015-08-11
M
a
rk Abraham
Abort if PME tuning is a
c
tiv
e
and cou
n
t
ers reset
commit
|
commitdiff
|
tree
2015-08-10
Mark A
b
ra
h
am
Require tune
_
pme
t
o take -mdrun parameter
commit
|
commitdiff
|
tree
2015-08-08
Ma
r
k Abraham
Mer
g
e b
r
anch release-5-0 into
r
elease-5-1
commit
|
commitdiff
|
tree
2015-08-08
M
ark Abraham
Fix docs
o
f ftyp
e
s of dihedral
s
commit
|
commitdiff
|
tree
2015-08-06
Mark Abraham
Fi
x
Fi
n
dNVML
.
cmake
commit
|
commitdiff
|
tree
2015-08-06
Mar
k
Abraha
m
Fix thre
a
d
-
affinity checking
commit
|
commitdiff
|
tree
2015-08-05
Mark A
b
r
a
h
am
Fix e
m
dash in new reference
commit
|
commitdiff
|
tree
2015-08-04
Mark A
b
r
aha
m
Merg
e
release-5-0 into rele
a
s
e
-5-
1
commit
|
commitdiff
|
tree
2015-08-03
M
ark Abraham
Fi
x
us
e
of wr
o
ngly
-
name
d
GCC minor-
v
ersion var
i
a
b
le
commit
|
commitdiff
|
tree
2015-08-03
Mark Abrah
a
m
Fix possi
b
le linking of
l
i
bxml2
to
zlib
commit
|
commitdiff
|
tree
2015-07-26
Mark Abrah
a
m
Convert some mdrun ut
i
li
t
y code to C++
commit
|
commitdiff
|
tree
2015-07-26
Mark Abraham
M
erg
e
b
ranch rel
e
ase-5-0 into release-5-1
commit
|
commitdiff
|
tree
2015-07-26
Mark Abraham
Stop mdrun printing pote
n
tially u
n
defi
n
ed
value
commit
|
commitdiff
|
tree
2015-07-26
Mark Abr
a
ham
V
ersion bumps after new release
commit
|
commitdiff
|
tree
2015-07-24
Mark A
b
rah
a
m
Merge
bran
c
h rel
e
ase-5-1
commit
|
commitdiff
|
tree
2015-07-24
M
a
rk Abraham
Version 5
.
0
.
6
commit
|
commitdiff
|
tree
2015-07-19
Ma
r
k Abraham
Update adv
i
ce about
grompp -t
commit
|
commitdiff
|
tree
2015-07-14
M
a
rk Abraham
Converted
gmxpreprocess to compil
e
as C++
commit
|
commitdiff
|
tree
2015-07-08
M
a
rk
Abraham
Give bTypePert
u
rbed a
v
alid initial v
a
l
u
e
commit
|
commitdiff
|
tree
2015-07-08
Mark Abraham
Fix grompp
.
e
d
r IO estimate for free-en
e
rgy
c
alcs
commit
|
commitdiff
|
tree
2015-07-06
Mark Abra
h
am
Firs
t
5
.
1 release ca
n
didate
commit
|
commitdiff
|
tree
2015-07-03
Mark Ab
r
aham
Fix Thr
e
adMPI GP
U
assu
m
p
t
ions
commit
|
commitdiff
|
tree
2015-06-30
Mark
Abraham
Document how
t
o add and
use NVML
support
commit
|
commitdiff
|
tree
2015-06-30
M
a
rk Abraham
Avoid GP
U
d
a
ta
r
ace also
w
ith OpenCL
commit
|
commitdiff
|
tree
2015-06-30
Mar
k
Abrah
a
m
Add support for flus
h
ing WD
D
M
q
ueue
commit
|
commitdiff
|
tree
2015-06-29
Mark Abraham
M
e
rge "Merge branch rele
a
s
e-
5
-0"
commit
|
commitdiff
|
tree
2015-06-29
M
ark Abraham
Me
r
g
e
b
r
a
nch relea
s
e-5-0
commit
|
commitdiff
|
tree
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