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Activate PME on GPUs
2017-11-24
Mark Abraham
Activate
P
ME on G
P
Us
commit
|
commitdiff
|
tree
2017-11-24
Mark
Abraham
Sepa
r
a
te management of GP
U
cont
e
xts from modules
commit
|
commitdiff
|
tree
2017-11-24
Mark Abraham
Add P
M
E integ
r
ation test
commit
|
commitdiff
|
tree
2017-11-24
Mark A
b
raham
Extend task a
s
signmen
t
code
commit
|
commitdiff
|
tree
2017-11-21
Mark Abraham
Use much less Pad
d
edRV
e
cVector and more Array
R
ef of
.
.
.
commit
|
commitdiff
|
tree
2017-11-21
Mark Abraham
Support pinning in HostAll
o
c
ator
commit
|
commitdiff
|
tree
2017-11-20
Mark Abraham
Fix nightly matrix config
commit
|
commitdiff
|
tree
2017-11-19
Mark
A
braham
Fix FindCUDA
.
cma
k
e for -Wu
n
def
commit
|
commitdiff
|
tree
2017-11-17
M
ar
k
Ab
r
aham
Use HostAllocationPolicy for chargeA
commit
|
commitdiff
|
tree
2017-11-17
Mark Abraham
Add checkin
g
function for whether a buffer
is pin
n
ed
commit
|
commitdiff
|
tree
2017-11-17
Mark Abraham
Improve handling of PME GP
U
force
b
u
f
fer
commit
|
commitdiff
|
tree
2017-11-10
Ma
r
k Abraham
Import cmake
M
odules/FindCUD
A
.
cm
a
ke
commit
|
commitdiff
|
tree
2017-11-09
Mark
A
braham
Prepared t_mdatoms for using vect
o
r
commit
|
commitdiff
|
tree
2017-11-09
M
ark Abraham
Introduce HostAllo
c
atio
n
P
olicy
commit
|
commitdiff
|
tree
2017-11-07
Mark
Abraham
Reform gm
x
_
p
m
e_pp alloc and use
vector
commit
|
commitdiff
|
tree
2017-11-07
M
ar
k
Abraham
I
n
trod
u
ce gmxopencl
.
h
commit
|
commitdiff
|
tree
2017-11-07
Mark
A
braham
Te
s
t clang on
ARM in ni
g
htly m
a
tr
i
x
commit
|
commitdiff
|
tree
2017-11-07
Mark Abraham
Imp
r
ove
PME includ
e
s
commit
|
commitdiff
|
tree
2017-11-03
Mark
A
brah
a
m
Merge "Merge
branch r
e
lease-2
0
1
6"
commit
|
commitdiff
|
tree
2017-11-02
Mark Abr
a
ham
Merge br
a
nch relea
s
e-2016
commit
|
commitdiff
|
tree
2017-11-01
Mark Abraham
Fix thread
-
MPI rank
choice for orientat
i
on restraints
commit
|
commitdiff
|
tree
2017-11-01
Mark Abraham
Improve h
a
ndling of GPU IDs
commit
|
commitdiff
|
tree
2017-10-31
Mark A
b
raham
Updat
e
tre
a
tment of GPU compatib
i
lity data structure
commit
|
commitdiff
|
tree
2017-10-30
Mark Ab
r
aha
m
Fix and update h
w
_info
commit
|
commitdiff
|
tree
2017-10-27
Mar
k
Abraham
Fix hw detection more
commit
|
commitdiff
|
tree
2017-10-26
Mark Abraham
M
a
ke r
e
le
a
se ma
t
rix work
a
gain
commit
|
commitdiff
|
tree
2017-10-26
Mark Abraham
New quote
commit
|
commitdiff
|
tree
2017-10-25
Ma
r
k Abra
h
am
Teach
the copyr
i
ght check
e
r about te
m
plate
.
cpp
commit
|
commitdiff
|
tree
2017-10-20
Mark Abr
a
h
a
m
Clar
i
fy docs
f
or Fm
a
x
in EM
commit
|
commitdiff
|
tree
2017-10-20
Mar
k
Ab
r
aham
Merge
b
ranch release-2016
commit
|
commitdiff
|
tree
2017-10-16
Mar
k
Abraham
Merge branch
release-
2
016
commit
|
commitdiff
|
tree
2017-10-13
Mark Abraham
Upda
t
e tests for C++11 compil
e
r and sta
n
da
r
d library
commit
|
commitdiff
|
tree
2017-10-13
Mark A
b
raham
Fi
x
c
puinfo on clang + no
n
-x86
commit
|
commitdiff
|
tree
2017-10-11
Mark Abrah
a
m
Introduced header for co
m
mu
n
ication
t
o
/from PME rank
s
commit
|
commitdiff
|
tree
2017-10-11
Mark Abra
h
a
m
Cleaned up ewaldcoeff f
o
r
PME-only ranks
commit
|
commitdiff
|
tree
2017-10-11
M
a
rk Abraha
m
Use c
l
ang-5 in Jenk
i
ns
commit
|
commitdiff
|
tree
2017-10-07
Mark Abraham
Tell c
p
pc
h
eck th
a
t
.
cpp
a
nd
.
cu fi
l
es are c++
commit
|
commitdiff
|
tree
2017-10-05
Mar
k
Ab
r
a
h
am
Continue removing -nb
gpu_cpu
commit
|
commitdiff
|
tree
2017-10-04
Ma
r
k A
b
raha
m
Enable
g
r
ou
p
-scheme SIMD with G
M
X_S
I
M
D
=
A
V
X2_128
commit
|
commitdiff
|
tree
2017-10-03
Mark Abraham
Introduce and use Ali
g
nedAllocationPolicy
commit
|
commitdiff
|
tree
2017-09-19
Ma
r
k Abraham
Update testing mat
r
ice
s
to test with (la
t
est)
icc-18
commit
|
commitdiff
|
tree
2017-09-17
Mark
A
braham
Merge bra
n
ch re
l
ea
s
e-20
1
6
commit
|
commitdiff
|
tree
2017-09-15
Mark Abr
a
h
a
m
Exp
r
ess intent of m
a
tr
i
x
r
e
leas
e
build types explicitly
commit
|
commitdiff
|
tree
2017-09-15
Mark
A
braham
Bum
p
ed
p
atc
h
version for ne
x
t releas
e
commit
|
commitdiff
|
tree
2017-09-15
Mark Abraham
Ve
r
si
o
n 2016
.
4
commit
|
commitdiff
|
tree
2017-09-14
M
ark Abr
a
ham
For
m
t
a
skass
i
gnment module
commit
|
commitdiff
|
tree
2017-09-14
Mark Abraham
Fix co
m
pat
m
odule defi
n
i
t
i
on
commit
|
commitdiff
|
tree
2017-09-12
M
a
rk Abraham
Merg
e
branch rel
e
ase-2
0
16
commit
|
commitdiff
|
tree
2017-09-07
Mark A
b
ra
h
am
Introduce type
-
safe
G
PU emulation variables
commit
|
commitdiff
|
tree
2017-09-07
Mark Abraham
Enable g
r
o
up-sch
e
me S
I
MD k
e
rnels on recent AVX extens
i
ons
commit
|
commitdiff
|
tree
2017-09-06
Mark Abra
h
a
m
Pr
e
pare Verlet scheme late
r
in
runner
commit
|
commitdiff
|
tree
2017-09-05
Mar
k
Abraham
Fi
x
es for Solaris
commit
|
commitdiff
|
tree
2017-09-05
Mark
A
braham
Fix use of GPU inf
o
r
mation fo
r
thread-MPI se
t
u
p
commit
|
commitdiff
|
tree
2017-09-03
Mark
A
braham
Fi
x
comp
i
l
er flags for using
MKL
commit
|
commitdiff
|
tree
2017-09-03
Mark Abraham
Mer
g
e br
a
nch release-5-
1
into release-2016
commit
|
commitdiff
|
tree
2017-08-25
Mark
A
braham
F
i
x
f
l
a
t-botto
m
ed position restraints with multiple
.
.
.
commit
|
commitdiff
|
tree
2017-08-23
Mark Abraham
Stopped checkpo
i
nt influencing para
l
lelism setup
commit
|
commitdiff
|
tree
2017-08-22
Mark Abraha
m
Run GPU detection
e
ven f
o
r
mdrun -n
b
cpu
commit
|
commitdiff
|
tree
2017-08-22
Mark Abraham
Fi
x
ed thread
-
MPI with
n
on-default -npme
commit
|
commitdiff
|
tree
2017-08-22
Mark Abraham
Fix missing de
c
laration of GMX_UNUSED_V
A
LUE
commit
|
commitdiff
|
tree
2017-08-22
Mark A
b
rah
a
m
Merge
b
ranch releas
e
-2016
commit
|
commitdiff
|
tree
2017-08-21
Mark Abraham
Moved in
c
rease_nstli
s
t(
)
to nbnxn_tuni
n
g
.
h
commit
|
commitdiff
|
tree
2017-08-21
Mark
A
brah
a
m
Fix com
p
ilation is
s
ues wit
h
ARM SIMD
commit
|
commitdiff
|
tree
2017-08-17
Mark Abra
h
am
R
epl
a
ce c
o
nsiste
n
cy checking
with assertion
commit
|
commitdiff
|
tree
2017-08-16
Mark Abra
h
a
m
Pa
r
se user-suppl
i
ed GPU
task
assig
n
ment
o
n
ly when needed
commit
|
commitdiff
|
tree
2017-08-16
Mar
k
Abraham
Remo
v
e duplica
t
e GPU non-usage hint
commit
|
commitdiff
|
tree
2017-08-16
Mark
A
b
r
a
ham
Mov
e
d log
g
ing
f
unc
t
ionality i
n
t
o
GPU us
a
ge report
commit
|
commitdiff
|
tree
2017-08-15
Ma
r
k
Abraham
Merge b
r
anch
r
e
l
ease-5-1 into re
l
e
as
e
-
2
016
commit
|
commitdiff
|
tree
2017-08-15
Mar
k
Abraham
Fi
x
value of Ewa
l
d shift
commit
|
commitdiff
|
tree
2017-08-10
Mark Abr
a
ham
C
larify d
a
ta flow i
n
GPU task assig
n
m
e
n
t
commit
|
commitdiff
|
tree
2017-08-07
Mark Abr
a
ha
m
Fix inc
l
ude dependency f
o
r g
e
tenv
commit
|
commitdiff
|
tree
2017-08-07
Mark Abraham
Simplified hand
l
ing
o
f GPU de
v
ice IDs
commit
|
commitdiff
|
tree
2017-08-06
Mark
A
bra
h
am
Si
m
pl
i
fy
resource-divis
i
o
n eff
i
cienc
y
check
commit
|
commitdiff
|
tree
2017-08-06
Ma
r
k
A
brah
a
m
Split pri
n
th
a
rdware
f
rom
d
etecthardware
commit
|
commitdiff
|
tree
2017-08-06
Mark Abraham
Decouple task as
s
ignment fr
o
m
task execut
i
o
n
commit
|
commitdiff
|
tree
2017-08-06
Mark Abraham
Removed unused
h
ost-side allocation code
commit
|
commitdiff
|
tree
2017-08-04
Mark Abrah
a
m
Stop using hwi
n
fo_g for reporting code
commit
|
commitdiff
|
tree
2017-08-03
Mark Abrah
a
m
Removed unused include stateme
n
ts
commit
|
commitdiff
|
tree
2017-08-01
Mark Abraham
I
n
t
r
oduced
Mdrunner high-level class
commit
|
commitdiff
|
tree
2017-07-27
Mark Abra
h
am
Enhance c
m
a
k
e and releng handling
o
f GMX_USE
_
R
D
T
SCP
commit
|
commitdiff
|
tree
2017-07-24
Mark Abraha
m
Separated respons
i
bility for consi
s
t
e
nc
y
checki
n
g
commit
|
commitdiff
|
tree
2017-07-24
Mark A
b
raham
Remo
v
e
u
n
ne
c
e
s
sary G
P
U checkin
g
cod
e
commit
|
commitdiff
|
tree
2017-07-20
Mar
k
Abraham
C
leaned up bUseGpu in ru
n
ner
commit
|
commitdiff
|
tree
2017-07-20
Mark Abra
h
am
Stop d
u
p
licate printing of dete
c
t
e
d
G
PU
s
commit
|
commitdiff
|
tree
2017-07-20
Mark Abraham
Fix use of GM
X
_
SIMD
in own-fftw buil
d
commit
|
commitdiff
|
tree
2017-07-19
Mark Abraham
Made pos
t
-subm
i
t config to tes
t
c
l
ang+openmp
.
commit
|
commitdiff
|
tree
2017-07-19
Mark Abraham
Im
p
rove CMake implementation for
GMX_SIMD
commit
|
commitdiff
|
tree
2017-07-18
Mark Abraham
Conver
t
e
d some const pointers
into const referen
c
es
.
.
.
commit
|
commitdiff
|
tree
2017-07-18
Ma
r
k Ab
r
aham
Elim
i
nated pick_nbnx
n
_resources
commit
|
commitdiff
|
tree
2017-07-14
Ma
r
k Abra
h
a
m
Implemente
d
grompp -p
o
for o
p
tions-styl
e
mdp handling
commit
|
commitdiff
|
tree
2017-07-14
Ma
r
k Abraham
Cl
e
an up
cmake build host detection
commit
|
commitdiff
|
tree
2017-07-13
Mark Abra
h
am
Clean up gmx_mdrun()
commit
|
commitdiff
|
tree
2017-07-13
Mark A
b
raham
C
leane
d
up mdru
n
ner_s
t
art_threa
d
s
commit
|
commitdiff
|
tree
2017-07-13
M
a
r
k
Abraham
M
o
re u
p
dates to test
i
ng
m
atrix
commit
|
commitdiff
|
tree
2017-07-07
Mark Abraham
Refactor error
h
andl
i
ng i
n
init_gpu
commit
|
commitdiff
|
tree
2017-07-06
M
a
rk Abraham
Simplify gmx_gpu_op
t
_t
commit
|
commitdiff
|
tree
2017-07-04
Mark Abraham
Clean up pick_
n
bnxn_reso
u
r
ce
s
commit
|
commitdiff
|
tree
2017-07-01
Mark
A
b
r
aha
m
Cleaned up G
P
U emulat
i
o
n
logic
commit
|
commitdiff
|
tree
2017-06-28
M
ark Abraham
Cle
a
ned up
h
igh-level boolean variabl
e
naming
commit
|
commitdiff
|
tree
2017-06-28
Mark Abraham
Fix spe
c
ific
a
tion for gcc-6
commit
|
commitdiff
|
tree
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