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Clean up PME load balancing struct
2019-01-09
Kevin Boyd
Cl
e
an u
p
PME load balancing stru
c
t
commit
|
commitdiff
|
tree
2019-01-07
Kevin
B
o
yd
Clean
up ekin
d
struct
commit
|
commitdiff
|
tree
2019-01-06
K
evin Boyd
Convert
t
_vcm to C++, plugging a memory
l
eak
commit
|
commitdiff
|
tree
2019-01-02
K
e
v
in Boyd
F
r
ee topolo
g
y in non-DD simulat
i
ons
commit
|
commitdiff
|
tree
2018-12-31
Kev
i
n
Boyd
Only r
e
port intra-sim communi
c
ation with
m
ultiple ranks
commit
|
commitdiff
|
tree
2018-12-31
Kevin B
o
yd
F
r
e
e
more
me
m
or
y
in co
n
straints cleanup
commit
|
commitdiff
|
tree
2018-12-28
Kevin
Boyd
Change t_extmass pointers to std::vec
t
or
commit
|
commitdiff
|
tree
2018-12-28
Kevin Boyd
Convert gm
x
_stoc
h
d_t to
C
+
+
commit
|
commitdiff
|
tree
2018-12-27
K
evin Boyd
U
se
s
t
d
::vector for trotter_seq
commit
|
commitdiff
|
tree
2018-12-27
Kevin Boyd
Mak
e
al
l
thread-mpi th
r
ead
s
r
elease cr structure
commit
|
commitdiff
|
tree
2018-12-27
Kevin
Boy
d
Remove unuse
d
f
unction de
c
l
arati
o
ns in upd
a
te
.
h
commit
|
commitdiff
|
tree
2018-12-26
K
evin Boy
d
Fix s
m
all leaks i
n
d
o_m
d
c
l
e
anu
p
commit
|
commitdiff
|
tree
2018-12-21
Kevin Boyd
Free gl
o
bal_stat at en
d
of do_
m
d
commit
|
commitdiff
|
tree
2018-12-21
Kevin
Boyd
Call wall
c
ycle co
u
nter cleanup functi
o
n
commit
|
commitdiff
|
tree
2018-12-21
K
e
vin B
o
yd
Fix leak in legacymdrunoptions
commit
|
commitdiff
|
tree
2018-12-21
K
e
v
i
n
B
o
y
d
F
i
x s
m
a
ll
l
eak in forcerec
commit
|
commitdiff
|
tree
2018-12-17
Kevin
B
oy
d
Fix memory leaks in ns clea
n
up
commit
|
commitdiff
|
tree
2018-12-17
Kevin Boyd
Fix memory leak
a
t e
n
d
of do
_
md
commit
|
commitdiff
|
tree
2018-11-11
Kevin Boyd
Add testing uti
l
i
t
y
f
o
r in-plac
e
modif
i
ca
t
ion of input
.
.
.
commit
|
commitdiff
|
tree
2018-10-29
K
e
vin B
o
y
d
Add constructor
f
or t_corr in gmx_msd
commit
|
commitdiff
|
tree
2018-09-27
Kevin Boyd
Reduce p
r
eproc
e
ssor dependency in
resourcedivisio
n
.
c
p
p
commit
|
commitdiff
|
tree
2018-09-17
Kevi
n
B
oyd
A
dde
d
basic tests
for gmx
msd
commit
|
commitdiff
|
tree
2018-09-03
K
ev
i
n
Boyd
Cor
r
ect in
f
o in
Berendsen
p-
c
ou
p
ling
m
dp
opt
i
on
commit
|
commitdiff
|
tree
2018-09-02
Kevin
B
oyd
F
i
x
e
d bug reporti
n
g
in
i
tial DLB state
commit
|
commitdiff
|
tree
2018-08-10
Kevin B
o
yd
Add
e
d physical validation
d
o
c
um
e
n
t to the dev manual
.
commit
|
commitdiff
|
tree
2018-08-06
K
e
v
i
n Boyd
Fi
x
g
m
x
so
l
vate
topol
o
gy upda
t
ing
commit
|
commitdiff
|
tree
2018-08-04
K
e
vin
Boyd
Support hwlo
c
2
.
x
.
x
commit
|
commitdiff
|
tree
2018-07-31
K
evin
Boyd
Report up to dat
e
hwloc v
e
rsion
infor
m
ation
commit
|
commitdiff
|
tree
2018-07-29
Kevin
B
oyd
Fixed synt
a
x e
r
ror in make_gromos_rtp
.
py
commit
|
commitdiff
|
tree
2018-06-14
Kevin
B
o
yd
Changed
d
ocumenta
t
io
n
o
n
co
m
mon
errors durin
g
mi
n
imiz
a
tion
commit
|
commitdiff
|
tree
2018-06-06
Kevin B
o
yd
Added to PME on
GPU in
f
ormation
i
n
mdrun performan
c
e
commit
|
commitdiff
|
tree
2018-06-01
Kevin Boyd
Cosm
e
tic fi
x
es to mdp docu
m
e
n
tat
i
on
commit
|
commitdiff
|
tree
2018-05-23
K
evin
B
oyd
R
e
moved "
X
X
X
non-mat
c
hing ato
m
name
s
"
Mart
i
ni statem
e
nt
.
commit
|
commitdiff
|
tree
2018-05-22
K
e
vin Boyd
C
osm
e
tic
d
ocumentation chan
g
es
commit
|
commitdiff
|
tree
2018-05-22
K
e
vi
n
Bo
y
d
Mi
n
or fixe
s
to mdru
n
performance doc
u
mentat
i
on
commit
|
commitdiff
|
tree