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Fix free_gpu
2017-12-04
Mark Abraham
Fix free_gpu
commit
|
commitdiff
|
tree
2017-12-04
Mark Abraha
m
Fi
x
unused vari
a
bles in CPU pruning k
e
r
n
els
commit
|
commitdiff
|
tree
2017-12-03
Mark
Abraham
Fi
x
fft5d pi
n
ning
commit
|
commitdiff
|
tree
2017-11-28
Ma
r
k Abraham
GROMACS 2
0
18 first
bet
a
release
commit
|
commitdiff
|
tree
2017-11-24
Mark Abraham
Update
develop
e
r guide
commit
|
commitdiff
|
tree
2017-11-24
Mark Ab
r
aham
Act
i
vate PME on G
P
Us
commit
|
commitdiff
|
tree
2017-11-24
M
ark Abraha
m
Separate management of GPU
contexts from modu
l
es
commit
|
commitdiff
|
tree
2017-11-24
M
a
rk Abrah
a
m
Add PM
E
integr
a
t
ion test
commit
|
commitdiff
|
tree
2017-11-24
Mark Abrah
a
m
Extend
t
ask
assignment
c
ode
commit
|
commitdiff
|
tree
2017-11-21
Mar
k
Ab
r
aham
U
se m
u
ch less
P
adde
d
RVecVector and more ArrayRef of
.
.
.
commit
|
commitdiff
|
tree
2017-11-21
M
a
rk Abr
a
ham
S
upport
p
i
n
ning in HostAl
l
ocator
commit
|
commitdiff
|
tree
2017-11-20
Mar
k
Abr
a
ham
Fix
n
ightl
y
matri
x
config
commit
|
commitdiff
|
tree
2017-11-19
Mark Abraham
Fix FindC
U
DA
.
c
make f
o
r
-Wundef
commit
|
commitdiff
|
tree
2017-11-17
Mark Abraham
Use Ho
s
tAllocati
o
nPo
l
icy for chargeA
commit
|
commitdiff
|
tree
2017-11-17
Mark Abr
a
ham
Add checkin
g
fun
c
tion for whe
t
her
a
bu
f
f
e
r is
pinned
commit
|
commitdiff
|
tree
2017-11-17
Mark
A
brah
a
m
I
mprove
h
andling
o
f PME GPU
f
orce buffer
commit
|
commitdiff
|
tree
2017-11-10
Mark Abraham
Import cma
k
e Modules/
F
indCUDA
.
cmake
commit
|
commitdiff
|
tree
2017-11-09
Mark Abraha
m
Prep
a
r
e
d
t_mdatoms for using vector
commit
|
commitdiff
|
tree
2017-11-09
Mark Ab
r
aham
Introduce Hos
t
Al
l
ocationPolicy
commit
|
commitdiff
|
tree
2017-11-07
Ma
r
k Abr
a
ham
Reform gmx_pme_pp allo
c
and
u
se vector
commit
|
commitdiff
|
tree
2017-11-07
Mark Abraham
Introdu
c
e gmxopencl
.
h
commit
|
commitdiff
|
tree
2017-11-07
Mark Abr
a
ham
Test clang o
n
AR
M
i
n
n
i
g
htly matrix
commit
|
commitdiff
|
tree
2017-11-07
Mark Abraham
I
m
prove PME in
c
ludes
commit
|
commitdiff
|
tree
2017-11-03
M
a
rk Abra
h
am
Mer
g
e
"Merge branch release-
2
016"
commit
|
commitdiff
|
tree
2017-11-02
M
a
rk
Abraham
Merge branch
release-2
0
16
commit
|
commitdiff
|
tree
2017-11-01
Mark Abraham
Fix thread-MPI rank choice f
o
r
o
rienta
t
ion
restraints
commit
|
commitdiff
|
tree
2017-11-01
Mark Abraham
Impro
v
e hand
l
ing of GPU IDs
commit
|
commitdiff
|
tree
2017-10-31
Mark Abraha
m
U
p
date treatment of GPU
c
o
mpatibil
i
ty data structure
commit
|
commitdiff
|
tree
2017-10-30
M
ar
k
Abraham
Fix and up
d
ate hw_in
f
o
commit
|
commitdiff
|
tree
2017-10-27
Mark Abraham
Fix hw d
e
t
ection more
commit
|
commitdiff
|
tree
2017-10-26
M
ark Abraham
Make releas
e
matrix work again
commit
|
commitdiff
|
tree
2017-10-26
M
ark A
b
rah
a
m
New quote
commit
|
commitdiff
|
tree
2017-10-25
Mark Abraham
Teach the copyright checker
a
b
o
ut template
.
cpp
commit
|
commitdiff
|
tree
2017-10-20
Mark Ab
r
aham
Clarify d
o
cs for Fma
x
in EM
commit
|
commitdiff
|
tree
2017-10-20
Mark Ab
r
aham
Merge branch release-2016
commit
|
commitdiff
|
tree
2017-10-16
Mark Ab
r
a
h
am
M
e
r
ge
b
r
a
nch release-2016
commit
|
commitdiff
|
tree
2017-10-13
M
ark Abraham
Upda
t
e tests for C+
+
1
1 compiler and
s
t
a
ndard l
i
brar
y
commit
|
commitdiff
|
tree
2017-10-13
Mark Ab
r
aham
Fix cpuinfo on clang
+
n
o
n-x86
commit
|
commitdiff
|
tree
2017-10-11
M
a
r
k Abraham
Intr
o
d
u
c
ed h
e
a
der for co
m
mu
n
icat
i
on to/from PME rank
s
commit
|
commitdiff
|
tree
2017-10-11
Mark Abraham
Cle
a
ned
up ewaldco
e
ff for PME-on
l
y ranks
commit
|
commitdiff
|
tree
2017-10-11
Mar
k
A
braham
Use cla
n
g-5
i
n Jenkins
commit
|
commitdiff
|
tree
2017-10-07
Mark Abraham
T
ell cpp
c
hec
k
t
h
at
.
cpp and
.
cu
files are c++
commit
|
commitdiff
|
tree
2017-10-05
Mark Abraham
Continue rem
o
vin
g
-
n
b
gpu_cpu
commit
|
commitdiff
|
tree
2017-10-04
Mark A
b
raha
m
En
a
ble group-sc
h
eme SIMD
w
ith GMX_S
I
MD=AV
X
2_128
commit
|
commitdiff
|
tree
2017-10-03
Mark Abraha
m
I
ntroduce a
n
d
u
se AlignedA
l
locationPolicy
commit
|
commitdiff
|
tree
2017-09-19
Mark Ab
r
a
h
am
Update testing matrices t
o
te
s
t
w
ith (latest) ic
c
-18
commit
|
commitdiff
|
tree
2017-09-17
Mark Abraham
Me
r
ge branch r
e
lease-2
0
16
commit
|
commitdiff
|
tree
2017-09-15
Mar
k
Abrah
a
m
Express i
n
tent of matrix release build types
explicit
l
y
commit
|
commitdiff
|
tree
2017-09-15
M
ark Abr
a
ham
Bumped patch version for next
release
commit
|
commitdiff
|
tree
2017-09-15
Mark
A
braham
V
ersion 2016
.
4
commit
|
commitdiff
|
tree
2017-09-14
Mark Abraha
m
Fo
r
m taskassig
n
ment module
commit
|
commitdiff
|
tree
2017-09-14
Mark
A
braham
Fi
x
c
o
mpat module
d
efinition
commit
|
commitdiff
|
tree
2017-09-12
Mar
k
Abr
a
ham
Merge br
a
n
c
h re
l
ease-2
0
16
commit
|
commitdiff
|
tree
2017-09-07
Mark
A
braham
Introduc
e
type
-
s
afe GPU emulation v
a
riables
commit
|
commitdiff
|
tree
2017-09-07
Mark Abra
h
am
Enab
l
e group-sc
h
em
e
SIMD k
e
r
n
els on recent AVX
ex
t
ensio
n
s
commit
|
commitdiff
|
tree
2017-09-06
Mark
A
braham
Pre
p
are Verlet scheme
l
a
ter in runner
commit
|
commitdiff
|
tree
2017-09-05
M
ark Ab
r
aham
Fixe
s
for S
o
la
r
is
commit
|
commitdiff
|
tree
2017-09-05
Mark
A
braham
Fix use o
f
G
PU
information for thread-MPI
setup
commit
|
commitdiff
|
tree
2017-09-03
Ma
r
k
A
braham
Fix c
o
mpiler flags fo
r
using MKL
commit
|
commitdiff
|
tree
2017-09-03
Mark Abraham
Merge
b
ranc
h
release-5-1 into rel
e
a
s
e-2016
commit
|
commitdiff
|
tree
2017-08-25
Mark
A
braham
Fix f
l
at-bottomed p
o
sition restraints
with multiple
.
.
.
commit
|
commitdiff
|
tree
2017-08-23
Mark Abr
a
ham
Stoppe
d
check
p
oint infl
u
encing paralle
l
ism
setup
commit
|
commitdiff
|
tree
2017-08-22
Mark Abr
a
h
am
Run G
P
U det
e
ction
e
ven for md
r
u
n
-
n
b cpu
commit
|
commitdiff
|
tree
2017-08-22
Mark Ab
r
aha
m
Fixe
d
thre
a
d-MPI w
i
th non-def
a
u
lt -npme
commit
|
commitdiff
|
tree
2017-08-22
M
ar
k
Abr
a
ham
Fix mis
s
ing
d
eclaration of GMX_
U
NUSED_VAL
U
E
commit
|
commitdiff
|
tree
2017-08-22
Mar
k
Abrah
a
m
Merge branch releas
e
-2016
commit
|
commitdiff
|
tree
2017-08-21
Mark Abr
a
ha
m
M
o
v
e
d i
n
c
rease
_
nstl
i
st() to nbnxn_tunin
g
.
h
commit
|
commitdiff
|
tree
2017-08-21
Mark Abraham
Fix compil
a
tion issue
s
with ARM SIMD
commit
|
commitdiff
|
tree
2017-08-17
Mark Abraham
Replace consistenc
y
c
hecking w
i
th a
s
s
erti
o
n
commit
|
commitdiff
|
tree
2017-08-16
Mark
A
braham
Parse us
e
r
-
supp
l
ied GPU task ass
i
gnme
n
t o
n
ly whe
n
n
eeded
commit
|
commitdiff
|
tree
2017-08-16
Mark Ab
r
aha
m
Remove
d
upl
i
cate
GPU non
-
u
s
ag
e
hint
commit
|
commitdiff
|
tree
2017-08-16
Mark
Abraha
m
Moved logging funct
i
onality into GPU
usage report
commit
|
commitdiff
|
tree
2017-08-15
M
ark Abra
h
am
Me
r
ge branc
h
releas
e
-5-1
into re
l
ease-201
6
commit
|
commitdiff
|
tree
2017-08-15
Mark Ab
r
aham
Fix value of E
w
al
d
shi
f
t
commit
|
commitdiff
|
tree
2017-08-10
Ma
r
k
Abra
h
am
Clar
i
fy
data
f
l
o
w in GP
U
task ass
i
gnmen
t
commit
|
commitdiff
|
tree
2017-08-07
M
a
r
k
A
b
r
a
ham
Fix include de
p
endency
f
or
g
etenv
commit
|
commitdiff
|
tree
2017-08-07
Mar
k
A
b
raham
S
implified handling of GPU
d
e
v
i
ce
I
Ds
commit
|
commitdiff
|
tree
2017-08-06
Mark Abraham
Simplify
resource-div
i
sion e
f
f
i
c
i
ency che
c
k
commit
|
commitdiff
|
tree
2017-08-06
Mark Abraham
Split printhardware from
d
etecth
a
rdware
commit
|
commitdiff
|
tree
2017-08-06
Mark Abraham
Decouple task assignmen
t
fr
o
m
task
e
xe
c
ution
commit
|
commitdiff
|
tree
2017-08-06
M
a
rk
A
braham
Removed unused
h
ost-s
i
d
e
al
l
ocation code
commit
|
commitdiff
|
tree
2017-08-04
Mark Abraham
Stop u
s
ing
h
w
info_g for reporting code
commit
|
commitdiff
|
tree
2017-08-03
Ma
r
k
Abraham
R
e
m
oved
u
nused include state
m
ents
commit
|
commitdiff
|
tree
2017-08-01
Mark
Abr
a
ham
Introduced Mdrunn
e
r
hig
h
-level class
commit
|
commitdiff
|
tree
2017-07-27
Mark Abraham
En
h
a
nce cmake
a
nd rel
e
ng h
a
ndling of GMX
_
USE_RDTSCP
commit
|
commitdiff
|
tree
2017-07-24
Mark Ab
r
aham
S
eparated
r
e
spon
s
ibil
i
ty for consistency che
c
king
commit
|
commitdiff
|
tree
2017-07-24
Mark
Abr
a
ham
Remove
u
n
n
ec
e
ssar
y
GPU checking
code
commit
|
commitdiff
|
tree
2017-07-20
Mark
A
b
raham
Cleane
d
up bUseG
p
u
in ru
n
ner
commit
|
commitdiff
|
tree
2017-07-20
Mark Abraham
S
top du
p
l
i
c
ate printing of d
e
tected
GPUs
commit
|
commitdiff
|
tree
2017-07-20
Mar
k
Abraha
m
Fix us
e
of GMX_SIMD in own-ff
t
w build
commit
|
commitdiff
|
tree
2017-07-19
M
a
rk Abraham
M
ade po
s
t-submit config t
o
test clang+openmp
.
commit
|
commitdiff
|
tree
2017-07-19
M
a
r
k
Abr
a
ha
m
I
m
prove CMake implem
e
n
tation for
G
MX_SIMD
commit
|
commitdiff
|
tree
2017-07-18
Mar
k
A
br
a
ham
Converted
s
ome const pointers i
n
to con
s
t ref
e
re
n
ces
.
.
.
commit
|
commitdiff
|
tree
2017-07-18
Mark Abraham
Eliminated pick_
n
bnxn_resources
commit
|
commitdiff
|
tree
2017-07-14
Mark A
b
raham
Imp
l
eme
n
ted gr
o
mpp
-p
o
for
o
pt
i
ons-
s
tyle
m
dp handling
commit
|
commitdiff
|
tree
2017-07-14
Mark Abraha
m
Clean up cmake build ho
s
t detection
commit
|
commitdiff
|
tree
2017-07-13
Mark Abraham
Cl
e
an up gmx_
m
drun(
)
commit
|
commitdiff
|
tree
2017-07-13
Mark Abraham
Cleaned up mdrunner_s
t
art_thre
a
d
s
commit
|
commitdiff
|
tree
2017-07-13
Mark Abraham
More updates t
o
te
s
ting ma
t
rix
commit
|
commitdiff
|
tree
2017-07-07
Mark Abraham
Refactor err
o
r handling in init_gpu
commit
|
commitdiff
|
tree
next