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Fix FindCUDA.cmake for -Wundef
2017-11-19
M
a
r
k
A
b
raham
Fix FindC
U
DA
.
cm
a
ke for -Wundef
commit
|
commitdiff
|
tree
2017-11-17
M
a
rk Abraham
Use
H
ostAllocationPolicy for cha
r
geA
commit
|
commitdiff
|
tree
2017-11-17
M
ark Abrah
a
m
Add checking fun
c
ti
o
n
for whether a bu
f
fer i
s
pinned
commit
|
commitdiff
|
tree
2017-11-17
Mark Abraham
I
m
p
rove handling of PM
E
GPU force
b
uffer
commit
|
commitdiff
|
tree
2017-11-10
M
ark Abraham
Import cmake Modules/FindCUDA
.
cmake
commit
|
commitdiff
|
tree
2017-11-09
Ma
r
k Abraham
Prepared t_mdatoms f
o
r u
s
ing v
e
ctor
commit
|
commitdiff
|
tree
2017-11-09
M
a
rk Abraham
Introduce
H
ostAllocationPolicy
commit
|
commitdiff
|
tree
2017-11-07
Mark Abr
a
ham
Reform gmx_pme_
p
p
al
l
oc and
u
se vector
commit
|
commitdiff
|
tree
2017-11-07
M
a
rk A
b
raham
Introduce gmx
o
pencl
.
h
commit
|
commitdiff
|
tree
2017-11-07
Mark Abraham
Tes
t
c
l
an
g
o
n
ARM in nightly
m
a
trix
commit
|
commitdiff
|
tree
2017-11-07
Mark Ab
r
aham
I
mprove PME incl
u
des
commit
|
commitdiff
|
tree
2017-11-03
Mark Abr
a
ham
Mer
g
e "Merge b
r
anch release-2016"
commit
|
commitdiff
|
tree
2017-11-02
Ma
r
k Abraham
M
e
rge b
r
anc
h
re
l
ease-2016
commit
|
commitdiff
|
tree
2017-11-01
M
ark
A
braham
Fix thread-MPI rank choice for
o
ri
e
nta
t
ion restraints
commit
|
commitdiff
|
tree
2017-11-01
Mark Abraham
Improve h
a
n
dling of GPU
I
D
s
commit
|
commitdiff
|
tree
2017-10-31
Mark Abraham
U
p
date tre
a
tment of GPU comp
a
t
ib
i
lit
y
d
a
ta struc
t
ure
commit
|
commitdiff
|
tree
2017-10-30
Mark Abraham
F
i
x and u
p
da
t
e hw_info
commit
|
commitdiff
|
tree
2017-10-27
M
a
rk Abraham
F
ix hw detection m
o
r
e
commit
|
commitdiff
|
tree
2017-10-26
M
ark
Abraham
Make release matrix work again
commit
|
commitdiff
|
tree
2017-10-26
Ma
r
k Abraham
New q
u
ote
commit
|
commitdiff
|
tree
2017-10-25
Mark A
b
raham
Te
a
c
h the copyright checker about t
e
mplate
.
cpp
commit
|
commitdiff
|
tree
2017-10-20
Mark Abraham
Clarify docs f
o
r Fmax in EM
commit
|
commitdiff
|
tree
2017-10-20
Mark A
b
ra
h
am
Merge branc
h
re
l
e
a
se-2016
commit
|
commitdiff
|
tree
2017-10-16
Mark Abraham
Merge branch
r
elease-2016
commit
|
commitdiff
|
tree
2017-10-13
Mar
k
Abraham
Updat
e
tests for C++11 c
o
mpiler and stand
a
rd library
commit
|
commitdiff
|
tree
2017-10-13
Mar
k
Abraham
F
ix cp
u
inf
o
on cl
a
n
g + non-x86
commit
|
commitdiff
|
tree
2017-10-11
M
a
rk Abraham
Introd
u
ced hea
d
e
r
for
c
ommuni
c
ation to/from PME ranks
commit
|
commitdiff
|
tree
2017-10-11
M
a
rk Abraham
Cleaned up ew
a
ldcoe
f
f
for PME-only ranks
commit
|
commitdiff
|
tree
2017-10-11
Mark
A
braham
Use c
l
ang-5 in
Jenk
i
ns
commit
|
commitdiff
|
tree
2017-10-07
Ma
r
k Abraham
Te
l
l cppch
e
c
k
t
h
a
t
.
cpp
and
.
cu f
i
les are c+
+
commit
|
commitdiff
|
tree
2017-10-05
M
ark Abraha
m
C
ontinue removin
g
-nb gpu_cpu
commit
|
commitdiff
|
tree
2017-10-04
Mark A
b
raham
Enable g
r
oup-scheme SIMD with
GMX_SIMD=AVX2_12
8
commit
|
commitdiff
|
tree
2017-10-03
Mark Abra
h
am
Introduce
and u
s
e AlignedAllocationPolicy
commit
|
commitdiff
|
tree
2017-09-19
M
ark A
b
r
a
h
am
Updat
e
t
e
stin
g
matri
c
es
t
o t
e
st with (la
t
e
st) icc-18
commit
|
commitdiff
|
tree
2017-09-17
Mark Abra
h
a
m
Merg
e
branch release-2016
commit
|
commitdiff
|
tree
2017-09-15
Mark Abraham
Ex
p
ress intent of m
a
trix release build typ
e
s explicitly
commit
|
commitdiff
|
tree
2017-09-15
Mark Ab
r
aham
Bumped patch v
e
r
sion
fo
r
next
release
commit
|
commitdiff
|
tree
2017-09-15
Mark Abraham
Version 2
0
1
6
.
4
commit
|
commitdiff
|
tree
2017-09-14
Mark Abraha
m
F
o
r
m
taskas
s
ig
n
me
n
t m
o
d
u
le
commit
|
commitdiff
|
tree
2017-09-14
M
a
r
k
Abraham
Fix c
o
mpat modul
e
definition
commit
|
commitdiff
|
tree
2017-09-12
Ma
r
k Abraham
Mer
g
e branch rele
a
se-2016
commit
|
commitdiff
|
tree
2017-09-07
Mar
k
A
braham
I
n
troduce
t
ype-saf
e
GPU emu
l
ation
v
a
r
iables
commit
|
commitdiff
|
tree
2017-09-07
Ma
r
k Abraham
Enab
l
e
g
roup-scheme SI
M
D
kernels on recent AVX exten
s
ions
commit
|
commitdiff
|
tree
2017-09-06
M
a
r
k Abrah
a
m
Prepare V
e
rlet sch
e
me
later in runner
commit
|
commitdiff
|
tree
2017-09-05
Mark Abrah
a
m
Fixes for Sol
a
ris
commit
|
commitdiff
|
tree
2017-09-05
Mark Abr
a
ham
Fix use of GPU information for thread-M
P
I
s
etup
commit
|
commitdiff
|
tree
2017-09-03
Mark Abraham
Fix com
p
iler flags fo
r
u
s
i
n
g
MKL
commit
|
commitdiff
|
tree
2017-09-03
Ma
r
k
A
b
ra
h
am
Merge branch rel
e
a
se-5-1 in
t
o release-20
1
6
commit
|
commitdiff
|
tree
2017-08-25
Mark Abrah
a
m
Fi
x
flat
-
bottom
e
d
po
s
i
t
ion r
e
st
r
aints
with multipl
e
.
.
.
commit
|
commitdiff
|
tree
2017-08-23
Mark
A
braham
St
o
ppe
d
c
heckpoint infl
u
en
c
ing parallelism setu
p
commit
|
commitdiff
|
tree
2017-08-22
Mark
A
brah
a
m
Run
GPU dete
c
tion even
for mdrun
-
nb cpu
commit
|
commitdiff
|
tree
2017-08-22
M
ark Abrah
a
m
Fixed thread-MPI w
i
th non-default -npme
commit
|
commitdiff
|
tree
2017-08-22
Mark A
b
r
a
ha
m
F
i
x mi
s
sing declaration of
G
MX_UNUS
E
D_VALUE
commit
|
commitdiff
|
tree
2017-08-22
Mark
Abraham
Merge branch
release-2016
commit
|
commitdiff
|
tree
2017-08-21
Mar
k
Abraham
Mov
e
d increase_nstlist() to n
b
nx
n
_tu
n
ing
.
h
commit
|
commitdiff
|
tree
2017-08-21
Mark Abraham
Fix
c
om
p
ilat
i
o
n
i
s
su
e
s
with
A
R
M
SIMD
commit
|
commitdiff
|
tree
2017-08-17
M
ark Abraham
Replace consistency check
i
ng with
a
ssert
i
on
commit
|
commitdiff
|
tree
2017-08-16
Mark
Abraham
P
a
rse
u
ser-s
u
pp
l
i
ed GPU tas
k
assignment only when
needed
commit
|
commitdiff
|
tree
2017-08-16
Mark Abraham
R
e
move d
u
plicate GPU non-usage hint
commit
|
commitdiff
|
tree
2017-08-16
Mark
A
braham
Moved log
g
i
n
g f
u
nctionality into G
P
U
u
sage report
commit
|
commitdiff
|
tree
2017-08-15
Mark
Abr
a
ham
Mer
g
e bra
n
ch release-5-1
i
nto rel
e
a
s
e-2016
commit
|
commitdiff
|
tree
2017-08-15
Mar
k
Abraham
Fix v
a
l
ue of Ewald
shif
t
commit
|
commitdiff
|
tree
2017-08-10
Mar
k
Abraham
Cl
a
rify data flow in GPU task as
s
ignment
commit
|
commitdiff
|
tree
2017-08-07
Mark A
b
raham
Fix include dependency fo
r
getenv
commit
|
commitdiff
|
tree
2017-08-07
Mark Abraham
Simplified handling of G
P
U
device I
D
s
commit
|
commitdiff
|
tree
2017-08-06
Ma
r
k Abraham
Simplify
r
e
s
o
u
r
c
e-
d
ivisio
n
efficiency
check
commit
|
commitdiff
|
tree
2017-08-06
M
a
rk A
b
r
aham
S
pl
i
t printhardwa
r
e from det
e
c
t
hardware
commit
|
commitdiff
|
tree
2017-08-06
M
a
rk Ab
r
a
ha
m
Decouple task
a
ssignment
fro
m
task exe
c
ut
i
on
commit
|
commitdiff
|
tree
2017-08-06
Mar
k
Ab
r
aham
R
e
moved un
u
sed host-side
a
l
l
o
c
ation code
commit
|
commitdiff
|
tree
2017-08-04
Mark Abraham
St
o
p us
i
ng
h
winfo_g fo
r
r
epor
t
ing code
commit
|
commitdiff
|
tree
2017-08-03
Mark Abraham
Removed unused include
statemen
t
s
commit
|
commitdiff
|
tree
2017-08-01
M
ark Abraham
Introduced Mdrunner high-level class
commit
|
commitdiff
|
tree
2017-07-27
Mark Abrah
a
m
Enhan
c
e cmake a
n
d
r
e
leng handling
o
f
G
M
X_
U
SE
_
R
D
TSCP
commit
|
commitdiff
|
tree
2017-07-24
M
ark Abra
h
am
Separ
a
ted responsibility for consistency
c
hecking
commit
|
commitdiff
|
tree
2017-07-24
Mark
Abraham
Remove un
n
ecessa
r
y GP
U
c
h
ecking c
o
de
commit
|
commitdiff
|
tree
2017-07-20
Mark Abraham
Cl
e
aned up bU
s
eGpu in runner
commit
|
commitdiff
|
tree
2017-07-20
M
a
rk Abraham
S
t
op
dupli
c
ate
p
ri
n
t
ing
o
f
d
etected GPUs
commit
|
commitdiff
|
tree
2017-07-20
Mar
k
Abra
h
a
m
Fi
x
use o
f
GMX_SIMD in own-f
f
tw build
commit
|
commitdiff
|
tree
2017-07-19
Mark Abrah
a
m
Made post
-
submit config to
t
est clang+
o
penmp
.
commit
|
commitdiff
|
tree
2017-07-19
Mark
Abraham
Imp
r
o
ve CMake implementation for GMX_S
I
M
D
commit
|
commitdiff
|
tree
2017-07-18
Mark Abraham
Con
v
erted
s
ome co
n
st pointers into const refer
e
n
ces
.
.
.
commit
|
commitdiff
|
tree
2017-07-18
Mar
k
Abraham
Eliminated pick_nbnxn_resources
commit
|
commitdiff
|
tree
2017-07-14
M
a
rk Abrah
a
m
Implemented
g
rompp -po f
o
r
option
s
-style m
d
p handling
commit
|
commitdiff
|
tree
2017-07-14
Mark
A
br
a
h
a
m
Cle
a
n up cmak
e
b
uild host detectio
n
commit
|
commitdiff
|
tree
2017-07-13
Mark Abr
a
ham
Clean up gmx_mdrun(
)
commit
|
commitdiff
|
tree
2017-07-13
Mark Abra
h
am
C
l
e
ane
d
up md
r
unner_start
_
threads
commit
|
commitdiff
|
tree
2017-07-13
Mark Abrah
a
m
More
u
pdate
s
t
o
testi
n
g
m
atrix
commit
|
commitdiff
|
tree
2017-07-07
Mark A
b
r
a
ham
R
e
factor error
handlin
g
in init_gpu
commit
|
commitdiff
|
tree
2017-07-06
M
a
rk Abraham
Simpli
f
y
g
m
x
_gpu_
o
pt
_
t
commit
|
commitdiff
|
tree
2017-07-04
Mark A
b
raham
Clean up pic
k
_nb
n
xn_resources
commit
|
commitdiff
|
tree
2017-07-01
Mark A
b
raham
C
l
eaned
up GP
U
em
u
lation logic
commit
|
commitdiff
|
tree
2017-06-28
Mark Abraham
C
leaned up hi
g
h-level
b
oolean
varia
b
le
n
aming
commit
|
commitdiff
|
tree
2017-06-28
Mark Abraham
F
ix sp
e
cifica
t
ion
for
g
cc-6
commit
|
commitdiff
|
tree
2017-06-28
Mark Abraham
M
e
rge branch release-20
1
6
commit
|
commitdiff
|
tree
2017-06-27
Mark Abraham
Minor improvements to test configs
commit
|
commitdiff
|
tree
2017-06-22
Mark Abraham
Consolidated logic for choosing number of t
h
read
-
MP
I
.
.
.
commit
|
commitdiff
|
tree
2017-06-22
Mark Abraham
Replace mi
s
named nbnxn_gpu_a
c
ce
l
eration
_
supported
commit
|
commitdiff
|
tree
2017-06-22
Mark Ab
r
aham
Consol
i
d
a
te an
d
fix
log
i
c for
mdrun
-nb and -gp
u
id
commit
|
commitdiff
|
tree
2017-06-21
Mark Abraham
Refo
r
m ngpu va
r
iabl
e
commit
|
commitdiff
|
tree
2017-06-21
M
ark A
b
raham
Rem
o
ve bUs
e
r
S
etGpuIds fie
l
d
commit
|
commitdiff
|
tree
next