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Fix table tests and improve table construction
2017-12-19
M
a
rk
Abra
h
am
Fix table te
s
ts an
d
i
m
prove
t
able cons
t
r
u
ct
i
on
commit
|
commitdiff
|
tree
2017-12-15
Mark
A
braham
Ma
k
e OpenCL implementati
o
n of gpu
_
utils tests conform
commit
|
commitdiff
|
tree
2017-12-14
Mark Abr
a
ham
Fix retur
n
values of frame-rea
d
ing functions
commit
|
commitdiff
|
tree
2017-12-14
Mark
A
braham
Ma
k
e AVX-512
C
Make
d
etc
t
i
o
n work
commit
|
commitdiff
|
tree
2017-12-14
Mark Abraham
Merge
"Merge
br
a
nch
rele
a
se-20
1
6 into rele
a
s
e-2018
.
.
.
commit
|
commitdiff
|
tree
2017-12-12
Mark Abraham
Improve
g
r
ompp
missing-parameters error message
commit
|
commitdiff
|
tree
2017-12-12
Mark Abr
a
ham
Merg
e
b
r
anch
r
elease-2016 into
r
elease-
2
018
commit
|
commitdiff
|
tree
2017-12-11
Ma
r
k
Abr
a
ham
S
e
cond beta rel
e
ase of 2018
commit
|
commitdiff
|
tree
2017-12-11
Mark Abraham
Leave
N
VML use of
f
b
y default
commit
|
commitdiff
|
tree
2017-12-11
Mark Abra
h
am
Check for GPU detection su
p
port
bef
o
re detecti
n
g
commit
|
commitdiff
|
tree
2017-12-11
Mark
Abraham
C
o
nsume any error produced during
G
PU det
e
ction
commit
|
commitdiff
|
tree
2017-12-11
Mark Abraham
Avoid signed-overflow war
n
ing with
g
c
c 7
commit
|
commitdiff
|
tree
2017-12-11
Mark Abrah
a
m
R
e
m
o
ve SIM
D
sh
i
f
t
oper
a
tors
commit
|
commitdiff
|
tree
2017-12-08
Mark Abraham
R
efi
n
e
u
lp tolerances fo
r
some
m
ore ewald tests
commit
|
commitdiff
|
tree
2017-12-05
Mark
A
braham
Fix mdrun
-nb auto -pme auto when GPUs are
a
b
s
e
n
t
commit
|
commitdiff
|
tree
2017-12-05
Mar
k
Abrah
a
m
Update te
s
ting to include cmake
3
.
10
.
0
commit
|
commitdiff
|
tree
2017-12-04
Mark Abraham
Fix f
r
ee_
g
pu
commit
|
commitdiff
|
tree
2017-12-04
Mark Abraham
Fix unu
s
e
d variables in CPU pr
u
ning kernels
commit
|
commitdiff
|
tree
2017-12-04
Mark Abraham
Merg
e
branch r
e
leas
e
-2016 i
n
t
o release-2018
commit
|
commitdiff
|
tree
2017-12-03
Mark Ab
r
a
h
a
m
Fix fft5d pin
n
ing
commit
|
commitdiff
|
tree
2017-11-28
M
ark Abra
h
am
GROM
A
CS 2018 fi
r
st beta release
commit
|
commitdiff
|
tree
2017-11-24
Mark Abraham
Update developer
g
uide
commit
|
commitdiff
|
tree
2017-11-24
Mar
k
Abrah
a
m
Act
i
vate PME on GPUs
commit
|
commitdiff
|
tree
2017-11-24
M
a
rk A
b
raham
Sepa
r
ate
m
a
n
a
g
emen
t
of
G
PU c
o
ntext
s
from module
s
commit
|
commitdiff
|
tree
2017-11-24
Mark Abraham
Add PME inte
g
ration te
s
t
commit
|
commitdiff
|
tree
2017-11-24
Mar
k
Abraham
Ext
e
nd task a
s
signmen
t
code
commit
|
commitdiff
|
tree
2017-11-21
Mark Abraham
Use much less Pa
d
dedR
V
ecVector and more Arra
y
Ref of
.
.
.
commit
|
commitdiff
|
tree
2017-11-21
Mark Abraham
Su
p
port p
i
nning in Hos
t
Allocator
commit
|
commitdiff
|
tree
2017-11-20
M
ark Abra
h
am
F
ix
nightly matr
i
x confi
g
commit
|
commitdiff
|
tree
2017-11-19
Mark
A
braha
m
F
i
x
FindCU
D
A
.
c
m
ake
f
or -Wund
e
f
commit
|
commitdiff
|
tree
2017-11-17
Mark Abr
a
ham
Us
e
HostAllocationPolicy for
c
harge
A
commit
|
commitdiff
|
tree
2017-11-17
Mar
k
Abraham
Ad
d
che
c
king
f
u
nction for w
h
ether a buffe
r
is pinne
d
commit
|
commitdiff
|
tree
2017-11-17
Mark A
b
r
a
ham
Imp
r
ove handling
of PME G
P
U
force buffer
commit
|
commitdiff
|
tree
2017-11-10
Mark Abr
a
ham
Imp
o
rt cma
k
e
Mod
u
les/FindCUDA
.
cm
a
ke
commit
|
commitdiff
|
tree
2017-11-09
Ma
r
k Abr
a
ham
Prepared t_mda
t
o
ms for usi
n
g v
e
ct
o
r
commit
|
commitdiff
|
tree
2017-11-09
Mark
Abra
h
am
Intro
d
uce HostAllocat
i
onP
o
licy
commit
|
commitdiff
|
tree
2017-11-07
Ma
r
k
Abrah
a
m
Reform gm
x
_pme_pp al
l
oc and
use vector
commit
|
commitdiff
|
tree
2017-11-07
Mar
k
Abraham
I
n
trodu
c
e gmxopencl
.
h
commit
|
commitdiff
|
tree
2017-11-07
Mark Abraham
Test clang
o
n
A
RM in n
i
g
h
tly matrix
commit
|
commitdiff
|
tree
2017-11-07
Mar
k
Abraha
m
Improv
e
PME includes
commit
|
commitdiff
|
tree
2017-11-03
Mark Abraham
Merge
"
Merge
b
ranch release-2016"
commit
|
commitdiff
|
tree
2017-11-02
Mark Ab
r
aham
M
e
rge bran
c
h
release-2016
commit
|
commitdiff
|
tree
2017-11-01
Mark Abrah
a
m
Fix thread-MPI ra
n
k choi
c
e
f
or orientation restraint
s
commit
|
commitdiff
|
tree
2017-11-01
M
ark Abraha
m
Im
p
r
ove handling of GPU IDs
commit
|
commitdiff
|
tree
2017-10-31
Mark Abraham
Update treatment of GPU compatibil
i
ty data stru
c
ture
commit
|
commitdiff
|
tree
2017-10-30
Mark Abraham
Fix and update hw_in
f
o
commit
|
commitdiff
|
tree
2017-10-27
Mark
Abraha
m
Fix
hw detection more
commit
|
commitdiff
|
tree
2017-10-26
Mark Abraham
Make re
l
ease matrix work agai
n
commit
|
commitdiff
|
tree
2017-10-26
Ma
r
k Abraham
New
q
uote
commit
|
commitdiff
|
tree
2017-10-25
Mar
k
Abraha
m
Teach th
e
cop
y
right
c
he
c
k
e
r
a
bo
u
t
t
emplate
.
c
pp
commit
|
commitdiff
|
tree
2017-10-20
Mark Abraham
Cla
r
ify docs for Fm
a
x in E
M
commit
|
commitdiff
|
tree
2017-10-20
Mark
Ab
r
aham
Merge
b
ran
c
h
r
e
l
ease-2016
commit
|
commitdiff
|
tree
2017-10-16
Mark Abraham
M
erge branch
r
elease-
2
0
16
commit
|
commitdiff
|
tree
2017-10-13
Mark Abraham
Update t
e
s
t
s
for C++11 c
o
mpil
e
r a
n
d
s
t
a
ndard lib
r
ary
commit
|
commitdiff
|
tree
2017-10-13
Mark Abraham
Fix cpuinfo on cla
n
g + non-x86
commit
|
commitdiff
|
tree
2017-10-11
M
a
rk Abra
h
am
Intr
o
duced header for commu
n
ication
to/from PM
E
r
a
nks
commit
|
commitdiff
|
tree
2017-10-11
Mark Abraham
Cleane
d
u
p ewald
c
o
eff for
PME-only
r
ank
s
commit
|
commitdiff
|
tree
2017-10-11
Mark Abraham
Use
cl
a
n
g
-5 in Jenkins
commit
|
commitdiff
|
tree
2017-10-07
Ma
r
k Abr
a
ham
Te
l
l
c
ppcheck that
.
cpp a
n
d
.
c
u f
i
l
es
a
re c
+
+
commit
|
commitdiff
|
tree
2017-10-05
Mark Abraham
Continue removing -nb gpu_cpu
commit
|
commitdiff
|
tree
2017-10-04
Mark
Abraham
Enable g
r
oup-scheme SIMD with
G
M
X_
S
IMD=
A
VX2
_
128
commit
|
commitdiff
|
tree
2017-10-03
Mark Abraham
Introduce and use A
l
ignedAllo
c
ationPol
i
cy
commit
|
commitdiff
|
tree
2017-09-19
Mark Ab
r
aham
Update
t
e
sting matrices to test w
i
th (la
t
est) icc-18
commit
|
commitdiff
|
tree
2017-09-17
Mark A
b
raham
Merge branch release-
2
016
commit
|
commitdiff
|
tree
2017-09-15
M
a
rk Abraham
Expre
s
s
i
ntent of
m
a
t
rix rel
e
ase build type
s
exp
l
icitly
commit
|
commitdiff
|
tree
2017-09-15
Mark Abraham
Bumped patch
v
er
s
io
n
for nex
t
releas
e
commit
|
commitdiff
|
tree
2017-09-15
Mar
k
A
b
raham
Ve
r
si
o
n
2016
.
4
commit
|
commitdiff
|
tree
2017-09-14
Mar
k
A
braha
m
F
orm
t
a
s
k
a
ssign
m
ent modu
l
e
commit
|
commitdiff
|
tree
2017-09-14
Mark Abraham
Fix compat module definition
commit
|
commitdiff
|
tree
2017-09-12
Mark Ab
r
aham
Me
r
ge branch release-2016
commit
|
commitdiff
|
tree
2017-09-07
Mark A
b
ra
h
am
Int
r
odu
c
e
typ
e
-s
a
fe GPU emulat
i
on variables
commit
|
commitdiff
|
tree
2017-09-07
Mar
k
Ab
r
a
ham
Enable g
r
ou
p
-schem
e
SIM
D
kern
e
ls on recent
A
VX ex
t
ensi
o
ns
commit
|
commitdiff
|
tree
2017-09-06
Mark Abraham
Prepare Verlet sch
e
me later in runner
commit
|
commitdiff
|
tree
2017-09-05
Mark Abraham
F
i
xe
s
fo
r
S
o
l
ar
i
s
commit
|
commitdiff
|
tree
2017-09-05
M
ar
k
Abraha
m
Fix use of GPU informa
t
ion fo
r
thread-MPI setup
commit
|
commitdiff
|
tree
2017-09-03
Mark Abrah
a
m
F
i
x compiler flag
s
f
or using MKL
commit
|
commitdiff
|
tree
2017-09-03
M
a
rk Ab
r
a
h
a
m
Merge branch r
e
lease-5
-
1 i
n
to release-2016
commit
|
commitdiff
|
tree
2017-08-25
Mark Ab
r
aham
Fix
f
lat-bottomed pos
i
tion res
t
raints with
multiple
.
.
.
commit
|
commitdiff
|
tree
2017-08-23
Mark Abraham
S
toppe
d
checkpo
i
nt influ
e
ncing p
a
rallelism setu
p
commit
|
commitdiff
|
tree
2017-08-22
Mark
A
braham
Run G
P
U d
e
t
e
ction even for mdrun -nb cpu
commit
|
commitdiff
|
tree
2017-08-22
Mark Abraha
m
Fixed
t
hread-MPI with
n
on-default -npme
commit
|
commitdiff
|
tree
2017-08-22
Ma
r
k
A
braham
Fix mis
s
ing declarati
o
n of GMX_U
N
USED_VA
L
UE
commit
|
commitdiff
|
tree
2017-08-22
Mark Abraham
Me
r
g
e
b
ranch r
e
l
ease-2016
commit
|
commitdiff
|
tree
2017-08-21
M
a
rk Abraham
Moved increas
e
_nstli
s
t
() to nbnxn
_
t
u
ning
.
h
commit
|
commitdiff
|
tree
2017-08-21
Ma
r
k
Abra
h
am
Fix
c
ompilation
i
ssues with
A
RM SIMD
commit
|
commitdiff
|
tree
2017-08-17
Mark Abr
a
ham
Replace
c
o
nsistency
c
hecking w
i
t
h
assertion
commit
|
commitdiff
|
tree
2017-08-16
Mark Abraham
P
arse user-s
u
pplie
d
GPU
task assignment
o
nly
when needed
commit
|
commitdiff
|
tree
2017-08-16
Mark
A
braham
Remov
e
duplicate G
P
U non-usage
h
i
n
t
commit
|
commitdiff
|
tree
2017-08-16
Mark
A
b
r
a
h
am
Moved logging func
t
ion
a
lity into GPU usag
e
report
commit
|
commitdiff
|
tree
2017-08-15
Ma
r
k
A
braham
Merge branch release-5-1 into re
l
ease-20
1
6
commit
|
commitdiff
|
tree
2017-08-15
Mar
k
Abraham
F
ix va
l
ue of Ewald sh
i
f
t
commit
|
commitdiff
|
tree
2017-08-10
Mark Abraham
Clarify data flow in GPU task assignment
commit
|
commitdiff
|
tree
2017-08-07
Mark Abraham
Fix include d
e
pendency
for
g
e
tenv
commit
|
commitdiff
|
tree
2017-08-07
Ma
r
k Abrah
a
m
Simp
l
ified handling of GP
U
device I
D
s
commit
|
commitdiff
|
tree
2017-08-06
M
a
rk Abraham
Simpl
i
fy resour
c
e-divis
i
on
e
ffic
i
e
n
cy ch
e
c
k
commit
|
commitdiff
|
tree
2017-08-06
Mark Abraham
Split print
h
ardware from d
e
tecthardwar
e
commit
|
commitdiff
|
tree
2017-08-06
Mark
A
b
raham
Decoupl
e
task a
s
signment from ta
s
k execution
commit
|
commitdiff
|
tree
2017-08-06
Mark Abraha
m
R
emoved
unused
h
ost-side
a
llocati
o
n code
commit
|
commitdiff
|
tree
2017-08-04
Mark Abraham
St
o
p usin
g
hwinfo_g
f
or reporting code
commit
|
commitdiff
|
tree
2017-08-03
Mark Abraham
Removed unused include
s
tatements
commit
|
commitdiff
|
tree
next