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Refactor cj preload in the nonbonded OpenCL kernels
2018-04-04
Mark
A
b
raham
Quiet
c
heckpoint reading
commit
|
commitdiff
|
tree
2018-04-03
M
ark Abraham
Merg
e
"
M
erg
e
branch release-2018"
commit
|
commitdiff
|
tree
2018-03-28
Ma
r
k Abraha
m
F
r
ee more me
m
ory in grompp and mdrun
commit
|
commitdiff
|
tree
2018-03-28
Mark Abra
h
am
Merge branch release-2018
commit
|
commitdiff
|
tree
2018-03-27
Ma
r
k Abraham
More gcc-8
fix
e
s for POWER
commit
|
commitdiff
|
tree
2018-03-22
Mark Abraha
m
U
pdated to prepare
f
or 2018
.
2 r
e
lease
commit
|
commitdiff
|
tree
2018-03-21
Mark Abraham
Versi
o
n 2
0
1
8
.
1
commit
|
commitdiff
|
tree
2018-03-21
Mark Abraham
Mer
g
e "Merg
e
branch r
e
le
a
se-2016 into release-2018
.
.
.
commit
|
commitdiff
|
tree
2018-03-21
Ma
r
k
A
brah
a
m
Update
release n
o
tes for 2018
.
1
commit
|
commitdiff
|
tree
2018-03-20
Mar
k
Abraham
Merge
bra
n
ch release-2016 in
t
o r
e
leas
e
-20
1
8
commit
|
commitdiff
|
tree
2018-03-20
Mark Abr
a
h
am
Upda
t
e use of gpu
_
id in Je
n
kins
commit
|
commitdiff
|
tree
2018-03-20
Mar
k
Abraham
Update use of gpu_id in Jenkins
commit
|
commitdiff
|
tree
2018-03-20
M
a
rk Abraham
U
pdate us
e
of
g
p
u
_i
d
in Jenki
n
s
commit
|
commitdiff
|
tree
2018-03-20
M
ark
A
braham
Add helpe
r
functio
n
to make a vector from an Arra
y
Re
f
commit
|
commitdiff
|
tree
2018-03-19
M
ark Abraham
F
i
x
VSX SIMD
w
i
t
h
g
cc 8
commit
|
commitdiff
|
tree
2018-03-14
Mark Abraham
Make a p
e
rsistent physical node com
m
unicator
commit
|
commitdiff
|
tree
2018-03-13
Mark A
b
r
a
ham
Add more const to uses of t_commrec an
d
t_inputrec
commit
|
commitdiff
|
tree
2018-03-13
Mar
k
Abr
a
ham
Introduce constrain_shak
e
commit
|
commitdiff
|
tree
2018-03-13
Mark Abraham
Merge
"
M
e
rge
br
a
nch
re
l
e
a
se-2018"
commit
|
commitdiff
|
tree
2018-03-12
M
a
r
k
Abra
h
am
T
est gcc-6 a
n
d cuda-9
.
0
commit
|
commitdiff
|
tree
2018-03-06
M
ark A
b
raha
m
Merge bra
n
ch release-2018
commit
|
commitdiff
|
tree
2018-03-06
Mark
A
b
raham
F
ixed
d
v
d
la
m
bda for SHA
K
E + FE
commit
|
commitdiff
|
tree
2018-02-28
Mark Abr
a
h
a
m
Moved and remove
d
constraint code
commit
|
commitdiff
|
tree
2018-02-28
Mark
A
braham
Reorga
n
ized constraint code
commit
|
commitdiff
|
tree
2018-02-27
Mark Abraham
F
ix GPU utils tes
t
commit
|
commitdiff
|
tree
2018-02-26
Mark
A
braham
Permit define
.
mdp
f
ield t
o
assi
g
n value
s
commit
|
commitdiff
|
tree
2018-02-26
Mark A
b
raham
O
r
g
anize
for recor
d
ing 201
6
-era r
e
leas
e
notes and add
.
.
.
commit
|
commitdiff
|
tree
2018-02-21
Mark Abrah
a
m
Enha
n
ced do
c
s of pi
m
pl point
e
r helper
commit
|
commitdiff
|
tree
2018-02-19
Mark
Abrah
a
m
R
e
move c
y
cle supp
r
ession
commit
|
commitdiff
|
tree
2018-02-19
Mark Ab
r
aham
Disallowe
d
chan
g
e of
ensemble for c
h
eckpo
i
nt restar
t
commit
|
commitdiff
|
tree
2018-02-16
Mark Ab
r
aham
Merge branch relea
s
e-2
0
16 into
r
e
l
eas
e
-2018
commit
|
commitdiff
|
tree
2018-02-16
Mark Abrah
a
m
Bumped
patch version for next release
commit
|
commitdiff
|
tree
2018-02-16
Mark A
b
raham
Merge br
a
nch relea
s
e
-
2018
i
n
t
o master
commit
|
commitdiff
|
tree
2018-02-16
Mark
Ab
r
aham
Version 2016
.
5
commit
|
commitdiff
|
tree
2018-02-15
Mark Abraham
Use stru
c
t for chec
k
point header contents
commit
|
commitdiff
|
tree
2018-02-14
Mark Abraham
Remove
r
ead_checkpoint_state
commit
|
commitdiff
|
tree
2018-02-14
Mark Abraham
U
s
e std::vect
o
r
for checkpoin
t
outpu
t
files
commit
|
commitdiff
|
tree
2018-02-14
Mark Abraham
M
erge branch release-20
1
6 into release-2018
commit
|
commitdiff
|
tree
2018-02-14
Mark Abrah
a
m
Fix bug
in checkp
o
int erro
r
c
hecking
commit
|
commitdiff
|
tree
2018-02-14
Mark
A
braham
Prepare
r
elease n
o
tes for
20
1
8
.
1
commit
|
commitdiff
|
tree
2018-02-13
Mark Abraham
Use death test only when
s
upp
o
rted
commit
|
commitdiff
|
tree
2018-02-13
Ma
r
k Abraham
Separate mult
i
sim
fr
o
m comm
r
ec
commit
|
commitdiff
|
tree
2018-02-12
Mark Abraham
Rem
o
ve commrec
from
hardware de
t
ec
t
ion
commit
|
commitdiff
|
tree
2018-02-12
Mark Ab
r
a
ham
Analyse thr
e
ads on node befor
e
setting affiniti
e
s
commit
|
commitdiff
|
tree
2018-02-12
Mark Abraham
Fix
r
eading
o
l
d for
c
e field files
commit
|
commitdiff
|
tree
2018-02-09
M
a
rk Abra
h
am
Merge branch rel
e
ase-2018
commit
|
commitdiff
|
tree
2018-02-08
Mark Abra
h
a
m
U
se more
portabl
e
python sheba
n
gs
commit
|
commitdiff
|
tree
2018-02-08
Mark
A
brah
a
m
Merge "Merge
b
ranc
h
release-2016 into release-201
8
.
.
.
commit
|
commitdiff
|
tree
2018-02-08
M
a
rk
Abr
a
h
am
Merg
e
branch releas
e
-201
6
into release-2
0
18
commit
|
commitdiff
|
tree
2018-02-08
Mark Abraham
Merge "
M
e
r
g
e
branch 're
l
ease-
2
018' i
n
to master"
commit
|
commitdiff
|
tree
2018-02-06
Mark Abr
a
ham
P
r
e
ven
t
log file ener
g
y
average prin
t
ing div
i
di
n
g
b
y
.
.
.
commit
|
commitdiff
|
tree
2018-02-06
Mark Abraham
Use isfinite unamb
i
g
u
ously
commit
|
commitdiff
|
tree
2018-01-30
Mark Abraham
Replace macros for m
u
lti-sim
commit
|
commitdiff
|
tree
2018-01-30
Mark Abraham
Update
G
oogleTest
t
o 1
.
8
.
0
commit
|
commitdiff
|
tree
2018-01-27
Mar
k
Abr
a
ham
Remove unu
s
ed declar
a
tion
commit
|
commitdiff
|
tree
2018-01-25
Mark A
b
rah
a
m
Remove unuse
d
fiel
d
s
of t_
c
o
mmrec
commit
|
commitdiff
|
tree
2018-01-25
Mark Abraham
Red
u
ced inc
l
u
d
e
s of c
o
mmon
h
e
ade
r
s in hea
d
ers
commit
|
commitdiff
|
tree
2018-01-25
M
a
r
k Abra
h
a
m
Removed mdrun
-
m
ul
t
i
commit
|
commitdiff
|
tree
2018-01-24
M
a
r
k Abraham
Change mul
t
i-s
i
m tests to use
-
multi
d
ir
commit
|
commitdiff
|
tree
2018-01-24
M
a
r
k
A
braham
Remove gm
x
_inline
commit
|
commitdiff
|
tree
2018-01-24
Mark A
b
r
aham
T
e
ach include sorter to ignore cmake-test
files
commit
|
commitdiff
|
tree
2018-01-24
M
a
rk Abraham
Move Windows icc conf
i
g to p
o
st-submit te
s
ting
commit
|
commitdiff
|
tree
2018-01-24
Mark
A
b
r
ah
a
m
Replace g
m
x_bool
with bool i
n
bitmask functions
commit
|
commitdiff
|
tree
2018-01-23
Mark Abraha
m
R
e
move
s
u
p
p
o
rt for impli
c
it solvation
commit
|
commitdiff
|
tree
2018-01-23
Mark
Abrah
a
m
Remove topology su
p
port for implicit solvation
commit
|
commitdiff
|
tree
2018-01-23
Mark Abraham
P
r
el
i
minary
cl
e
anup be
f
ore removing ifdef cp
l
usplus
commit
|
commitdiff
|
tree
2018-01-19
Mark Abra
h
am
Merge "Merge br
a
nc
h
'release-
2
018
'
into ma
s
ter"
commit
|
commitdiff
|
tree
2018-01-19
M
a
rk A
b
raham
Add d
e
v-guid
e
doc
s
for automa
t
i
c
u
pdate o
f
regr
e
ssiontests
commit
|
commitdiff
|
tree
2018-01-19
Mar
k
Abraham
Fixes for issues f
o
u
nd by clang
6
commit
|
commitdiff
|
tree
2018-01-18
Mark Abraham
Bump ve
r
sion numbers for 2019
deve
l
opment
commit
|
commitdiff
|
tree
2018-01-18
Mark Abra
h
a
m
Re
m
ove
s
upp
o
rt for BlueGene
commit
|
commitdiff
|
tree
2018-01-18
Mark Ab
r
aham
Port thread
-
MPI
t
o
c
om
p
ile as C++
commit
|
commitdiff
|
tree
2018-01-16
Ma
r
k
A
braham
M
e
rge "Merge re
l
ease-2018 into master"
commit
|
commitdiff
|
tree
2018-01-11
Mark Abrah
a
m
R
e
move contrib directory
commit
|
commitdiff
|
tree
2018-01-11
M
ark Abraham
Bumped v
e
rsion
for next patch release
commit
|
commitdiff
|
tree
2018-01-11
M
a
rk Ab
r
a
h
am
Version 2018
commit
|
commitdiff
|
tree
2018-01-11
Mark Ab
r
aham
A
n
nounce in user log files that f
e
atures are deprec
a
t
ed
.
commit
|
commitdiff
|
tree
2018-01-10
Mark Abraham
Fix
aut
o
mated GP
U
ID assig
n
ment
commit
|
commitdiff
|
tree
2018-01-10
Mark Abraham
Add release note
s
to s
o
urce repo
commit
|
commitdiff
|
tree
2018-01-10
Mark Abraham
Handle erro
n
eous command
l
in
e
args better
commit
|
commitdiff
|
tree
2018-01-09
Mark Abra
h
am
D
e
activ
a
te aut
o
select of PM
E
on
G
PU o
n
sepa
r
a
te ran
k
commit
|
commitdiff
|
tree
2018-01-09
Mark Abraham
Clean up
u
ser guide for
release
commit
|
commitdiff
|
tree
2018-01-09
Mar
k
Abraham
Merge
b
ranc
h
release-2016 into
r
elease-2
0
18
commit
|
commitdiff
|
tree
2018-01-05
Mark Abraham
R
e
m
o
ve
F
indCUDA from source tar
b
all
commit
|
commitdiff
|
tree
2018-01-04
M
ark Abraham
Merge
branch release-2018
commit
|
commitdiff
|
tree
2018-01-04
M
a
rk A
b
raham
Add te
s
t config of GP
U
b
u
ild on slav
e
without GPU
commit
|
commitdiff
|
tree
2018-01-03
M
a
rk Abraham
Add c
o
ol
quote
commit
|
commitdiff
|
tree
2018-01-03
Mark Abraham
Fix
d
uplicate warning
commit
|
commitdiff
|
tree
2018-01-02
Mark
A
braha
m
Fix membed by calling the proper m
t
op finalization
.
.
.
commit
|
commitdiff
|
tree
2017-12-30
Mark A
b
raham
First rel
e
ase candidate
for version 2018
commit
|
commitdiff
|
tree
2017-12-29
Ma
r
k Abra
h
am
Separate canDetectGpus and findGpu
s
fut
h
er, and
fix
.
.
.
commit
|
commitdiff
|
tree
2017-12-27
M
ark Abr
a
ham
Silence POWER8 com
p
i
ler
w
arn
i
ngs
commit
|
commitdiff
|
tree
2017-12-22
M
a
r
k Abrah
a
m
M
erge
b
ra
n
ch
release-2016 into release-201
8
commit
|
commitdiff
|
tree
2017-12-21
Mark Abraham
Merge branch r
e
lease-5-
1
into release-2016
commit
|
commitdiff
|
tree
2017-12-21
Ma
r
k Abraha
m
Bum
p
m
i
nor version for
t
heor
e
tical n
e
w
release
commit
|
commitdiff
|
tree
2017-12-21
Mark Abraham
Update
d
o
uble-precisi
o
n test
c
onfigurations
commit
|
commitdiff
|
tree
2017-12-21
Mark Abra
h
am
Version 5
.
1
.
5
commit
|
commitdiff
|
tree
2017-12-20
Mark Ab
r
aham
U
s
e new d
e
faul
t
RealToler
a
nce(
)
to
s
tab
i
lise some tests
commit
|
commitdiff
|
tree
2017-12-20
Mark Abraham
Me
r
ge "Merge
b
ranch release-2016 into rel
e
ase-
2
01
8
.
.
.
commit
|
commitdiff
|
tree
2017-12-20
Mark
A
b
r
aham
Mer
g
e
b
ranch rele
a
se-2016 into r
e
lease
-
2018
commit
|
commitdiff
|
tree
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