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Fix erroneous PME GPU "step" namings
2017-11-01
Mark Abraha
m
Improve
ha
n
dlin
g
of
GPU I
D
s
commit
|
commitdiff
|
tree
2017-10-31
Mark Abraham
U
p
date treatm
e
n
t of
GPU
compati
b
i
lity d
a
ta st
r
ucture
commit
|
commitdiff
|
tree
2017-10-30
M
a
r
k
Abra
h
am
Fix and updat
e
hw_inf
o
commit
|
commitdiff
|
tree
2017-10-27
Mar
k
Abraham
Fix hw detec
t
ion more
commit
|
commitdiff
|
tree
2017-10-26
Mark A
b
raham
Make re
l
ease m
a
t
rix w
o
r
k
agai
n
commit
|
commitdiff
|
tree
2017-10-26
Mark Ab
r
aham
N
e
w quote
commit
|
commitdiff
|
tree
2017-10-25
M
a
r
k Abraham
Teach the
c
o
p
y
r
i
g
ht checker about template
.
cpp
commit
|
commitdiff
|
tree
2017-10-20
Mark Abr
a
ham
M
erge branch
r
e
l
ease-2016
commit
|
commitdiff
|
tree
2017-10-16
Mark A
b
raham
Merge branch release-201
6
commit
|
commitdiff
|
tree
2017-10-13
Mark Abra
h
am
U
p
d
ate tests fo
r
C++11 co
m
pil
e
r
a
nd standard li
b
rary
commit
|
commitdiff
|
tree
2017-10-13
M
ark
A
braham
Fi
x
cpuinfo on clang
+
non-x86
commit
|
commitdiff
|
tree
2017-10-11
Mark
Abr
a
ham
Introduced
h
eader for communication to/from P
M
E ra
n
k
s
commit
|
commitdiff
|
tree
2017-10-11
M
a
rk Ab
r
aham
Cleaned up ewald
c
oeff for PME-only ranks
commit
|
commitdiff
|
tree
2017-10-11
Mark
Abraham
Use
cl
a
ng-
5
i
n
Je
n
kins
commit
|
commitdiff
|
tree
2017-10-07
Mark Abraha
m
Tel
l
cppcheck
that
.
cpp an
d
.
cu files
a
re c++
commit
|
commitdiff
|
tree
2017-10-05
Mark Abrah
a
m
C
o
ntinue removing -nb gpu
_
cpu
commit
|
commitdiff
|
tree
2017-10-04
Mark Abraham
Enable gr
o
up-sch
e
m
e
SIMD
with
G
M
X_S
I
MD=AVX2_
1
28
commit
|
commitdiff
|
tree
2017-10-03
Ma
r
k Abraham
Introduce
a
n
d u
s
e AlignedAlloca
t
i
onPolicy
commit
|
commitdiff
|
tree
2017-09-19
Mark Abraham
Up
d
ate testing matrices to test with (latest) icc-18
commit
|
commitdiff
|
tree
2017-09-17
M
ar
k
Abraham
Merge branc
h
release
-
2016
commit
|
commitdiff
|
tree
2017-09-15
Mar
k
Abrah
a
m
Exp
r
ess i
n
tent
of matrix release b
u
ild types explicitly
commit
|
commitdiff
|
tree
2017-09-15
Mark Abraham
B
umped patch
v
er
s
i
on for nex
t
re
l
ease
commit
|
commitdiff
|
tree
2017-09-15
Mark A
b
raham
Ve
r
sion 2016
.
4
commit
|
commitdiff
|
tree
2017-09-14
M
ark Abraham
Fo
r
m
task
a
s
si
g
nment module
commit
|
commitdiff
|
tree
2017-09-14
M
a
rk Abr
a
ham
Fix compat module definition
commit
|
commitdiff
|
tree
2017-09-12
Mark Abraham
Merge branch release-2016
commit
|
commitdiff
|
tree
2017-09-07
Mark Abrah
a
m
In
t
roduce type-
s
afe GP
U
emulation variabl
e
s
commit
|
commitdiff
|
tree
2017-09-07
M
a
rk Abr
a
ham
Enab
l
e
group-s
c
heme
S
IMD kerne
l
s on
r
ecent AVX exte
n
sio
n
s
commit
|
commitdiff
|
tree
2017-09-06
Mark Abraham
Prepare
V
erlet scheme l
a
ter
i
n
runner
commit
|
commitdiff
|
tree
2017-09-05
Mark Abraham
Fix
e
s for Solaris
commit
|
commitdiff
|
tree
2017-09-05
Mark Abra
h
a
m
Fix use of
GP
U
informati
o
n for thread-MPI setup
commit
|
commitdiff
|
tree
2017-09-03
Mark
A
b
r
aham
Fix
compiler flags for using
M
K
L
commit
|
commitdiff
|
tree
2017-09-03
M
ark Abraham
M
erge branch
release-5
-
1 i
n
to
r
eleas
e
-
2
016
commit
|
commitdiff
|
tree
2017-08-25
M
a
r
k
A
braham
Fix flat-bottomed position restrain
t
s with
m
ultiple
.
.
.
commit
|
commitdiff
|
tree
2017-08-23
Ma
r
k
A
braham
Stop
p
ed
c
heckp
o
int in
f
lue
n
cing par
a
llel
i
s
m setup
commit
|
commitdiff
|
tree
2017-08-22
Mark Abra
h
am
R
un GPU detection even for mdrun
-
nb cpu
commit
|
commitdiff
|
tree
2017-08-22
M
ark Abraha
m
Fixed thread-MPI with non-default -npme
commit
|
commitdiff
|
tree
2017-08-22
Mark
Abra
h
a
m
Fix
mis
s
ing dec
l
aration of GMX_UNUSE
D
_VALUE
commit
|
commitdiff
|
tree
2017-08-22
Mark Abraham
M
erge b
r
anch re
l
ease-
2
0
16
commit
|
commitdiff
|
tree
2017-08-21
M
a
rk
A
b
r
ah
a
m
Moved
i
ncrease_nstlis
t
(
)
to nbnxn_tuning
.
h
commit
|
commitdiff
|
tree
2017-08-21
Mark Ab
r
aham
F
i
x compil
a
tion issu
e
s with ARM
S
IM
D
commit
|
commitdiff
|
tree
2017-08-17
Mark A
b
raham
Replace cons
i
ste
n
cy
c
hecking with ass
e
rtion
commit
|
commitdiff
|
tree
2017-08-16
Mark Abr
a
ham
Parse user-supplied GPU
task as
s
ign
m
ent
o
n
l
y when
needed
commit
|
commitdiff
|
tree
2017-08-16
Mark Abraham
R
emove
d
u
p
licat
e
GPU
non-
u
sage
hint
commit
|
commitdiff
|
tree
2017-08-16
Mark Abr
a
ham
Move
d
log
g
ing functional
i
ty in
t
o GPU usage
r
epor
t
commit
|
commitdiff
|
tree
2017-08-15
Mark Abraham
Merge branch release-
5
-1 in
t
o release-2016
commit
|
commitdiff
|
tree
2017-08-15
Mark
A
bra
h
a
m
Fix value o
f
Ewald shift
commit
|
commitdiff
|
tree
2017-08-10
Mark
Abraham
Clarify
data flow in GPU task ass
i
gnment
commit
|
commitdiff
|
tree
2017-08-07
Mark Ab
r
aham
Fix inc
l
ude depen
d
e
ncy f
o
r getenv
commit
|
commitdiff
|
tree
2017-08-07
Mar
k
A
braham
Simpl
i
fied
handling of GPU de
v
ice IDs
commit
|
commitdiff
|
tree
2017-08-06
Ma
r
k
Abraham
Si
m
plify resource-div
i
sion efficie
n
cy
check
commit
|
commitdiff
|
tree
2017-08-06
Mar
k
Abr
a
ham
Split print
h
a
r
dware fro
m
detectha
r
dware
commit
|
commitdiff
|
tree
2017-08-06
Mark
Abrah
a
m
Decoupl
e
task ass
i
gn
m
e
n
t from task e
x
ec
u
tion
commit
|
commitdiff
|
tree
2017-08-06
Mark Abraham
Removed unu
s
ed host-side a
l
loca
t
ion code
commit
|
commitdiff
|
tree
2017-08-04
Mark
Abraha
m
S
t
op usi
n
g
h
winfo_g f
o
r
rep
o
rting c
o
d
e
commit
|
commitdiff
|
tree
2017-08-03
M
ark Abraham
Remo
v
ed unused include statements
commit
|
commitdiff
|
tree
2017-08-01
Mark A
b
raham
Introd
u
c
e
d Mdr
u
n
ner hi
g
h
-
l
evel
c
la
s
s
commit
|
commitdiff
|
tree
2017-07-27
Mark
Ab
r
aham
Enhance cmake and releng hand
l
ing
of GMX
_
USE_RDTS
C
P
commit
|
commitdiff
|
tree
2017-07-24
Mark
Ab
r
aha
m
Separat
e
d responsi
b
ility for
c
o
nsistenc
y
checking
commit
|
commitdiff
|
tree
2017-07-24
Mark Abraha
m
Remove unne
c
essar
y
GPU chec
k
i
ng
code
commit
|
commitdiff
|
tree
2017-07-20
Mar
k
Ab
r
aham
C
leane
d
up bUseGpu
i
n runner
commit
|
commitdiff
|
tree
2017-07-20
Mark Abra
h
am
Stop
duplicate
printing
o
f
d
e
tected G
P
U
s
commit
|
commitdiff
|
tree
2017-07-20
M
ark Abraham
Fix use
of GMX_SIMD in own-f
f
tw build
commit
|
commitdiff
|
tree
2017-07-19
Mark Abr
a
ham
M
ade p
o
st-submit config
to test clang+
o
penmp
.
commit
|
commitdiff
|
tree
2017-07-19
Mark
A
braham
Improve CMake implementation for GMX_SIMD
commit
|
commitdiff
|
tree
2017-07-18
Mark Abraham
Converted s
o
me const
p
o
i
nters in
t
o
cons
t
references
.
.
.
commit
|
commitdiff
|
tree
2017-07-18
Mark Ab
r
aham
E
l
im
i
nated pic
k
_
n
bnxn_resou
r
c
es
commit
|
commitdiff
|
tree
2017-07-14
Mark A
b
r
aham
Implement
e
d grompp -po for options-s
t
y
l
e mdp hand
l
ing
commit
|
commitdiff
|
tree
2017-07-14
Mark Ab
r
ah
a
m
Cle
a
n up c
m
ake build hos
t
d
etection
commit
|
commitdiff
|
tree
2017-07-13
Mark
Ab
r
aham
C
l
ean
u
p
gmx
_
mdrun()
commit
|
commitdiff
|
tree
2017-07-13
Mar
k
Ab
r
a
h
am
Cleaned up
m
dru
n
n
e
r_start_threads
commit
|
commitdiff
|
tree
2017-07-13
Mark Abraham
More updates to testing matrix
commit
|
commitdiff
|
tree
2017-07-07
Mark Abraham
R
e
f
a
ctor error handling in init_gpu
commit
|
commitdiff
|
tree
2017-07-06
Mark Abr
a
ham
Simpli
f
y gmx_gpu
_
op
t
_
t
commit
|
commitdiff
|
tree
2017-07-04
Mark Abraham
Clean up
pick_nbnxn_resources
commit
|
commitdiff
|
tree
2017-07-01
M
a
rk Abraham
Cleaned up
G
PU emulati
o
n logic
commit
|
commitdiff
|
tree
2017-06-28
Mark Abraham
Cleaned up hi
g
h-leve
l
boolean v
a
r
i
able n
a
ming
commit
|
commitdiff
|
tree
2017-06-28
M
a
rk Abraham
F
ix spe
c
ification
f
or gcc-6
commit
|
commitdiff
|
tree
2017-06-28
Mark Abraha
m
Merge branch rel
e
ase-2016
commit
|
commitdiff
|
tree
2017-06-27
Mar
k
Abraham
M
i
no
r
i
mprovement
s
to te
s
t configs
commit
|
commitdiff
|
tree
2017-06-22
M
a
rk Abr
a
ham
Co
n
sol
i
dated logic
for choosing number
o
f
th
r
ead-MP
I
.
.
.
commit
|
commitdiff
|
tree
2017-06-22
Mark Abraham
Replac
e
mi
s
na
m
ed n
b
n
xn_gpu_
a
cceleration_s
u
p
ported
commit
|
commitdiff
|
tree
2017-06-22
Mark
Abraham
Co
n
so
l
idate a
n
d fix
l
o
g
ic for m
d
r
u
n -nb and -gpuid
commit
|
commitdiff
|
tree
2017-06-21
Mark Ab
r
a
h
am
Ref
o
rm ngpu variable
commit
|
commitdiff
|
tree
2017-06-21
Ma
r
k
Abraham
R
emo
v
e
bU
s
erSetGpuId
s
field
commit
|
commitdiff
|
tree
2017-06-14
M
a
rk Abraham
S
implify
reporting from init_gp
u
commit
|
commitdiff
|
tree
2017-06-12
M
a
rk Abraha
m
M
ove gmx_parse
_
gpu_id out of checking function
commit
|
commitdiff
|
tree
2017-05-31
Mark Abrah
a
m
New quot
e
commit
|
commitdiff
|
tree
2017-05-30
Mark Abraham
Fix NV
M
L
e
rror messages
commit
|
commitdiff
|
tree
2017-05-27
Mark Abraham
Q
u
o
t
e
s
from Gott
i
ngen wor
k
shop
commit
|
commitdiff
|
tree
2017-05-26
Mark Abraham
Tes
t
in
v
six
t
hroot function as inte
n
d
ed
commit
|
commitdiff
|
tree
2017-05-15
Mark
Abraham
Updated use of co
m
piler
s
pecifier
s
in testing
commit
|
commitdiff
|
tree
2017-05-15
Mark A
b
raham
Updated use o
f
gcc-5 spe
c
ifiers
commit
|
commitdiff
|
tree
2017-05-15
Mark Abraham
Update clang static analyz
e
r slave to use
v
ersion 4
commit
|
commitdiff
|
tree
2017-05-14
Mar
k
Ab
r
aham
Upd
a
te cla
n
g-4
commit
|
commitdiff
|
tree
2017-05-09
Mark Abraham
Fix formatting
of MKL cma
k
e docs
commit
|
commitdiff
|
tree
2017-05-09
Mark
A
braham
M
erge branch r
e
l
e
a
se-2016
commit
|
commitdiff
|
tree
2017-05-09
Mark Abraham
Clea
n
ed up memo
r
y
us
a
ge in gmx traj and trjcon
v
commit
|
commitdiff
|
tree
2017-04-22
Mark
A
b
raham
Clean
u
p memory usage wi
t
h
o
env and xvg
w
riting
commit
|
commitdiff
|
tree
2017-04-17
Mark Abra
h
am
Minor c
h
an
g
e to GPU comp
a
tibility reporting ha
n
dling
commit
|
commitdiff
|
tree
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