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Use HostAllocationPolicy for chargeA
2017-11-17
Mark
Ab
r
ah
a
m
U
s
e Hos
t
Alloc
a
t
ionPolicy for chargeA
commit
|
commitdiff
|
tree
2017-11-17
Mark A
b
raham
Add c
h
ecking function for w
h
eth
e
r a buf
f
er
is pinned
commit
|
commitdiff
|
tree
2017-11-17
Ma
r
k Abr
a
ham
Improve handling o
f
PME GPU force
b
u
f
fer
commit
|
commitdiff
|
tree
2017-11-10
M
a
r
k Abraham
Import cmake Modu
l
es/FindCUDA
.
c
make
commit
|
commitdiff
|
tree
2017-11-09
M
a
rk Ab
r
aha
m
P
repared t_mda
t
o
ms
f
o
r
u
s
in
g
ve
c
tor
commit
|
commitdiff
|
tree
2017-11-09
Mark Abraham
I
n
trod
u
ce HostAllo
c
atio
n
P
olicy
commit
|
commitdiff
|
tree
2017-11-07
Mark Abr
a
ham
Reform gm
x
_p
m
e
_
pp a
l
lo
c
and
use vector
commit
|
commitdiff
|
tree
2017-11-07
Mar
k
Abra
h
am
Introduce gmxopencl
.
h
commit
|
commitdiff
|
tree
2017-11-07
Mark
A
br
a
ham
Test clan
g
on ARM i
n
n
i
g
h
t
ly matrix
commit
|
commitdiff
|
tree
2017-11-07
Mark Abr
a
ham
Impro
v
e
P
M
E
i
n
cl
u
des
commit
|
commitdiff
|
tree
2017-11-03
M
ark Abr
a
ham
M
e
r
g
e "Merge branch release-2016"
commit
|
commitdiff
|
tree
2017-11-02
Mark Abraham
Mer
g
e bran
c
h
r
elease-2016
commit
|
commitdiff
|
tree
2017-11-01
M
ark Abraham
Fix
t
h
r
e
a
d-
M
PI ran
k
choice for orien
t
ation r
e
straints
commit
|
commitdiff
|
tree
2017-11-01
Mark Abraham
Im
p
rove handling
of GPU IDs
commit
|
commitdiff
|
tree
2017-10-31
Mark Abraham
U
pdate treatment of GPU com
p
atibility d
a
t
a structure
commit
|
commitdiff
|
tree
2017-10-30
Mark Abraha
m
Fix and
u
p
date h
w
_info
commit
|
commitdiff
|
tree
2017-10-27
M
ark
Abraham
Fix hw det
e
ction more
commit
|
commitdiff
|
tree
2017-10-26
M
a
rk Abra
h
a
m
Make release
ma
t
rix
work again
commit
|
commitdiff
|
tree
2017-10-26
Mark Abr
a
ha
m
New
q
uote
commit
|
commitdiff
|
tree
2017-10-25
Mark Abraham
Teach the copyright checke
r
a
b
out templat
e
.
cpp
commit
|
commitdiff
|
tree
2017-10-20
Mark Abr
a
h
a
m
Clarify doc
s
for
F
max
in EM
commit
|
commitdiff
|
tree
2017-10-20
Mark Abraham
Merge branch release-2016
commit
|
commitdiff
|
tree
2017-10-16
M
ar
k
A
b
raham
Mer
g
e
branch
r
eleas
e
-
2016
commit
|
commitdiff
|
tree
2017-10-13
Mark Ab
r
aham
Upd
a
te
t
e
s
ts for C+
+
11 co
m
piler and standard
library
commit
|
commitdiff
|
tree
2017-10-13
Mark Abr
a
ham
Fix cpuinfo on clang +
no
n
-x86
commit
|
commitdiff
|
tree
2017-10-11
Ma
r
k Abrah
a
m
Introduced header for com
m
u
nication
to/from PME
ran
k
s
commit
|
commitdiff
|
tree
2017-10-11
Mark Abraham
C
l
eaned up
ewald
c
o
e
ff for PM
E
-only ra
n
ks
commit
|
commitdiff
|
tree
2017-10-11
Mark Abr
a
ham
Use
clang-5 i
n
Jenkins
commit
|
commitdiff
|
tree
2017-10-07
Mark Abrah
a
m
Tell cppche
c
k that
.
cpp and
.
cu
f
il
e
s are c++
commit
|
commitdiff
|
tree
2017-10-05
Mark
Abraham
Continue
removing -nb gpu_cpu
commit
|
commitdiff
|
tree
2017-10-04
Mar
k
Abr
a
ham
En
a
bl
e
group-scheme SIMD with GMX_SIMD=AVX2_128
commit
|
commitdiff
|
tree
2017-10-03
Mark Abrah
a
m
In
t
ro
d
uce a
n
d
u
se Aligned
A
lloc
a
ti
o
nPolicy
commit
|
commitdiff
|
tree
2017-09-19
Mark Abraha
m
Upda
t
e tes
t
ing
matrices to test with (l
a
t
est)
i
c
c
-
18
commit
|
commitdiff
|
tree
2017-09-17
Mark Abrah
a
m
Me
r
ge bra
n
ch rel
e
ase-2016
commit
|
commitdiff
|
tree
2017-09-15
Mark Abrah
a
m
Express inte
n
t of matrix releas
e
build
t
y
p
e
s
e
xplici
t
ly
commit
|
commitdiff
|
tree
2017-09-15
M
ark Abrah
a
m
Bumped patch v
e
rsio
n
f
o
r ne
x
t
release
commit
|
commitdiff
|
tree
2017-09-15
Mark Abraham
Ve
r
sion 2016
.
4
commit
|
commitdiff
|
tree
2017-09-14
Mark Abrah
a
m
Form taskassignm
e
nt modu
l
e
commit
|
commitdiff
|
tree
2017-09-14
Mar
k
Abra
h
am
Fix compat modul
e
definition
commit
|
commitdiff
|
tree
2017-09-12
M
ark Abrah
a
m
Merg
e
branch re
l
ease-2016
commit
|
commitdiff
|
tree
2017-09-07
Ma
r
k
Abraham
Introduce t
y
p
e
-safe GPU emulation vari
a
bles
commit
|
commitdiff
|
tree
2017-09-07
Mar
k
Abrah
a
m
Ena
b
le
g
roup-s
c
he
m
e
SIMD kernels on recent AVX e
x
tensions
commit
|
commitdiff
|
tree
2017-09-06
Mark Abraham
Pr
e
p
a
r
e Verlet sc
h
eme later in
r
u
n
ner
commit
|
commitdiff
|
tree
2017-09-05
Mark Abraham
Fi
x
es
f
or
S
olaris
commit
|
commitdiff
|
tree
2017-09-05
M
ark Abr
a
ham
Fix use of GPU informa
t
ion for threa
d
-MPI setup
commit
|
commitdiff
|
tree
2017-09-03
Ma
r
k
A
bra
h
am
Fix compiler fl
a
gs for
u
sing MKL
commit
|
commitdiff
|
tree
2017-09-03
Mark Abraham
Merge branch release-5-1
i
nto re
l
ease-2016
commit
|
commitdiff
|
tree
2017-08-25
Mark Abraha
m
Fi
x
f
lat-
b
ot
t
omed position restraint
s
wit
h
multiple
.
.
.
commit
|
commitdiff
|
tree
2017-08-23
Mark Ab
r
aham
S
t
oppe
d
checkpoint influencing paral
l
elism
setup
commit
|
commitdiff
|
tree
2017-08-22
Mark Ab
r
a
h
am
R
un
GPU detection
e
ven
for mdrun -n
b
cpu
commit
|
commitdiff
|
tree
2017-08-22
Mark A
b
r
aham
Fi
x
ed thread-MPI w
i
th
n
on-default -npm
e
commit
|
commitdiff
|
tree
2017-08-22
Mark Ab
r
aham
Fix missing declaratio
n
o
f
GMX_UNUSED_VALUE
commit
|
commitdiff
|
tree
2017-08-22
Mar
k
A
b
raham
Merge bra
n
ch re
l
ease-2016
commit
|
commitdiff
|
tree
2017-08-21
Mark Abr
a
ham
Move
d
increase_nstlist
(
) to
n
bnxn_tuning
.
h
commit
|
commitdiff
|
tree
2017-08-21
Mark
Abraham
Fix
c
o
mpilatio
n
iss
u
es w
i
th ARM S
I
M
D
commit
|
commitdiff
|
tree
2017-08-17
Mark Abraham
Repl
a
ce consistency check
i
ng
w
ith assertion
commit
|
commitdiff
|
tree
2017-08-16
Mark
A
braham
P
ars
e
user-supp
l
ied GPU t
a
sk assignment only when
needed
commit
|
commitdiff
|
tree
2017-08-16
Mar
k
Abrah
a
m
Re
m
ove d
u
p
l
i
c
ate GPU non-
u
sage hint
commit
|
commitdiff
|
tree
2017-08-16
Mark Abraham
Mov
e
d log
g
ing func
t
ionality
i
nto GPU usage
r
e
p
ort
commit
|
commitdiff
|
tree
2017-08-15
Mark Abraham
Merge branch release-5-1 into release-2016
commit
|
commitdiff
|
tree
2017-08-15
M
a
rk A
b
rah
a
m
F
ix
v
alu
e
of Ew
a
ld
s
hift
commit
|
commitdiff
|
tree
2017-08-10
M
a
rk Abraham
Cla
r
if
y
data flow in GPU task
assignment
commit
|
commitdiff
|
tree
2017-08-07
Mark Ab
r
a
h
a
m
Fix include de
p
e
n
denc
y
for
g
e
t
env
commit
|
commitdiff
|
tree
2017-08-07
Ma
r
k Abraham
Simplifie
d
handling o
f
GPU device IDs
commit
|
commitdiff
|
tree
2017-08-06
M
a
rk Abraham
Simpl
i
fy resource-div
i
sion efficiency ch
e
ck
commit
|
commitdiff
|
tree
2017-08-06
Mark Ab
r
aham
Spl
i
t
pr
i
nthardw
a
re
f
r
om de
t
ect
h
ardware
commit
|
commitdiff
|
tree
2017-08-06
Mark Abra
h
am
Deco
u
ple task assig
n
ment
f
rom task e
x
ec
u
tion
commit
|
commitdiff
|
tree
2017-08-06
Mark Abrah
a
m
Removed unused host-side al
l
o
c
ation code
commit
|
commitdiff
|
tree
2017-08-04
Mar
k
Abrah
a
m
Stop u
s
i
n
g
hw
i
nfo_g for repo
r
ting
cod
e
commit
|
commitdiff
|
tree
2017-08-03
Mark Abraham
Removed unused
i
nclude statem
e
nts
commit
|
commitdiff
|
tree
2017-08-01
Mark Abraha
m
I
ntroduced
Mdrunner high-le
v
el class
commit
|
commitdiff
|
tree
2017-07-27
Mark Abraham
E
n
h
ance
c
make and releng handli
n
g of GMX_US
E
_RDTSCP
commit
|
commitdiff
|
tree
2017-07-24
Mark Ab
r
aham
Separ
a
t
e
d respon
s
ibility for consistency c
h
ecking
commit
|
commitdiff
|
tree
2017-07-24
M
a
rk Ab
r
aham
Rem
o
ve unnecessary
G
PU checking
c
ode
commit
|
commitdiff
|
tree
2017-07-20
Mark Abraha
m
Clea
n
ed
up bUseGpu i
n
runn
e
r
commit
|
commitdiff
|
tree
2017-07-20
Mark Abraham
St
o
p duplicat
e
printing o
f
detected GPU
s
commit
|
commitdiff
|
tree
2017-07-20
Mark Abraham
F
ix use of GMX_SIMD in
own-ff
t
w build
commit
|
commitdiff
|
tree
2017-07-19
Mark
Abraham
M
a
de post-s
u
bmit con
f
ig to test clang+op
e
nmp
.
commit
|
commitdiff
|
tree
2017-07-19
Ma
r
k
Abraham
Impr
o
ve
CMake
i
mpleme
n
tation f
o
r
G
MX_SIMD
commit
|
commitdiff
|
tree
2017-07-18
Mark Abraham
Converted some co
n
st pointers
i
nto const referenc
e
s
.
.
.
commit
|
commitdiff
|
tree
2017-07-18
Mark Abraham
Elimi
n
ated pick_nbnxn_resources
commit
|
commitdiff
|
tree
2017-07-14
M
a
rk Abraham
Implemented grompp -po
for
o
ptions-st
y
le mdp handling
commit
|
commitdiff
|
tree
2017-07-14
Mar
k
Abraha
m
Clea
n
u
p
c
m
ake
build host dete
c
t
i
on
commit
|
commitdiff
|
tree
2017-07-13
Mark
Abr
a
ham
C
l
ean up gmx_mdru
n
()
commit
|
commitdiff
|
tree
2017-07-13
Mark Abraham
Cl
e
an
e
d
u
p mdrunner_sta
r
t
_
t
h
reads
commit
|
commitdiff
|
tree
2017-07-13
Mark Abraha
m
More updates to testin
g
m
a
trix
commit
|
commitdiff
|
tree
2017-07-07
M
a
r
k
Abraham
Refa
c
tor
error handling
in init_gpu
commit
|
commitdiff
|
tree
2017-07-06
Mark Abraham
Simpl
i
fy
gmx_gpu_
o
p
t_t
commit
|
commitdiff
|
tree
2017-07-04
Mark Abraham
Clean up pick
_
nbnxn_resou
r
ce
s
commit
|
commitdiff
|
tree
2017-07-01
Mark Abraham
C
l
ea
n
ed up GPU emulation log
i
c
commit
|
commitdiff
|
tree
2017-06-28
Mar
k
A
braham
Cleaned up high-l
e
vel boolean variable naming
commit
|
commitdiff
|
tree
2017-06-28
M
a
r
k
A
b
raham
Fix specification for
gcc-6
commit
|
commitdiff
|
tree
2017-06-28
Mark
A
br
a
ham
Merge branch release-2016
commit
|
commitdiff
|
tree
2017-06-27
Mark Abraham
Minor
i
m
provements to te
s
t
co
n
figs
commit
|
commitdiff
|
tree
2017-06-22
Ma
r
k
Abraham
Consolidated logic for c
h
oos
i
n
g
n
u
mber of th
r
ead-MPI
.
.
.
commit
|
commitdiff
|
tree
2017-06-22
M
a
r
k Abraham
R
eplace
misna
m
ed n
b
nxn_
g
pu_a
c
celerati
o
n_
s
upporte
d
commit
|
commitdiff
|
tree
2017-06-22
Mark Abraham
C
o
ns
o
li
d
ate and fix logic
f
or
m
d
run -
n
b and
-gpuid
commit
|
commitdiff
|
tree
2017-06-21
Mark Abraham
Reform ngpu
varia
b
l
e
commit
|
commitdiff
|
tree
2017-06-21
M
ark Abraham
Remov
e
bUse
r
SetG
p
uIds field
commit
|
commitdiff
|
tree
2017-06-14
Mark Abraham
Simplify reporting fr
o
m init_g
p
u
commit
|
commitdiff
|
tree
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