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Version 2018
2018-01-11
Mark
Abraha
m
Version
2
018
commit
|
commitdiff
|
tree
2018-01-11
M
a
rk Ab
r
aham
Announce in user log
files that features ar
e
d
epre
c
ated
.
commit
|
commitdiff
|
tree
2018-01-10
Mark
Abraham
Fix automated GPU
ID assignment
commit
|
commitdiff
|
tree
2018-01-10
Mark Abraha
m
Add
r
elease
n
otes
t
o source
r
epo
commit
|
commitdiff
|
tree
2018-01-10
Ma
r
k Abr
a
ham
Handle erroneo
u
s command line
args bett
e
r
commit
|
commitdiff
|
tree
2018-01-09
Mark Abr
a
ham
Deactivate autoselect o
f
P
M
E on GP
U
on s
e
par
a
te rank
commit
|
commitdiff
|
tree
2018-01-09
Mark Abr
a
ham
Clean up user
g
u
i
de
for release
commit
|
commitdiff
|
tree
2018-01-09
Mar
k
Abr
a
ham
Merge bra
n
c
h
rele
a
se-2016
into release-2018
commit
|
commitdiff
|
tree
2018-01-05
Mark Abraham
Remove F
i
n
d
CUD
A
f
rom source tarbal
l
commit
|
commitdiff
|
tree
2018-01-04
Mark A
b
raham
Add
test config o
f
GPU b
u
ild
on slave w
i
t
hout GPU
commit
|
commitdiff
|
tree
2018-01-03
Mark Abraham
Fix
duplicate warning
commit
|
commitdiff
|
tree
2018-01-02
Mark Abraham
Fix
membed by cal
l
ing th
e
prop
e
r mtop fi
n
alization
.
.
.
commit
|
commitdiff
|
tree
2017-12-30
Mark Abraham
First release candida
t
e for versi
o
n 2018
commit
|
commitdiff
|
tree
2017-12-29
Mark Abraham
Separate c
a
nDetectGpus and findGpus futher
,
and fix
.
.
.
commit
|
commitdiff
|
tree
2017-12-27
Mark Abraham
S
ilence POWER8
c
o
mpiler warnings
commit
|
commitdiff
|
tree
2017-12-22
Mark Ab
r
aham
Me
r
ge branch release-
2
016 in
t
o
r
e
l
e
ase-2
0
1
8
commit
|
commitdiff
|
tree
2017-12-21
Mark Ab
r
aham
Merge
b
r
a
n
ch rel
e
ase-5-1 into re
l
ease-
2
016
commit
|
commitdiff
|
tree
2017-12-21
Mar
k
Abraham
Bump minor version for the
o
retical new re
l
ease
commit
|
commitdiff
|
tree
2017-12-21
Mark
A
braham
U
p
date double-preci
s
ion
test config
u
rations
commit
|
commitdiff
|
tree
2017-12-21
Mark Abraham
Version
5
.
1
.
5
commit
|
commitdiff
|
tree
2017-12-20
M
a
rk Abraham
Use new default
R
ealTolerance() to stabili
s
e so
m
e te
s
ts
commit
|
commitdiff
|
tree
2017-12-20
Mark Abraham
M
e
r
g
e "M
e
rge branch release-20
1
6 i
n
t
o
relea
s
e-2018
.
.
.
commit
|
commitdiff
|
tree
2017-12-20
Mark A
b
raham
Me
r
ge b
r
anch r
e
l
ease-2016
i
nto release-2
0
18
commit
|
commitdiff
|
tree
2017-12-19
Mark A
b
raham
Th
i
rd
b
eta re
l
ease
of 2018
commit
|
commitdiff
|
tree
2017-12-19
Mark Abraham
Fix
t
able tests
and
i
mprove table c
o
nstruction
commit
|
commitdiff
|
tree
2017-12-15
Mar
k
Abraham
Make OpenCL imple
m
entation o
f
gpu_uti
l
s test
s
c
onform
commit
|
commitdiff
|
tree
2017-12-14
Mark Abraham
Av
o
id
c
onfusing
m
ess
a
ge at end of no
n
-dynamica
l
run
s
commit
|
commitdiff
|
tree
2017-12-14
Mark
A
braha
m
F
i
x r
e
turn values o
f
frame-reading
functions
commit
|
commitdiff
|
tree
2017-12-14
Mark Abraham
Ma
k
e AVX-512 CMake d
e
tction w
o
r
k
commit
|
commitdiff
|
tree
2017-12-14
Ma
r
k Abraham
M
e
rge "Mer
g
e b
r
a
n
ch release-2016 in
t
o release-2018
.
.
.
commit
|
commitdiff
|
tree
2017-12-12
M
ark Abraham
Im
p
rove gromp
p
miss
i
ng-
p
arame
t
ers
erro
r
messag
e
commit
|
commitdiff
|
tree
2017-12-12
Ma
r
k Abraham
Merg
e
branch release-20
1
6 int
o
r
elea
s
e-2018
commit
|
commitdiff
|
tree
2017-12-11
M
a
rk Abraham
Sec
o
n
d
beta
r
elease o
f
201
8
commit
|
commitdiff
|
tree
2017-12-11
Mar
k
Abrah
a
m
Leave N
V
ML use o
f
f b
y
default
commit
|
commitdiff
|
tree
2017-12-11
M
a
rk
Abraham
C
hec
k
f
or GPU detection suppor
t
before detect
i
ng
commit
|
commitdiff
|
tree
2017-12-11
Mark
A
braham
Consume any error produc
e
d
d
urin
g
G
P
U de
t
ection
commit
|
commitdiff
|
tree
2017-12-11
M
a
r
k
A
b
raha
m
Avoid sign
e
d-over
f
low warnin
g
w
i
t
h gcc 7
commit
|
commitdiff
|
tree
2017-12-11
M
a
rk Abraham
Remove SIMD sh
i
ft
operators
commit
|
commitdiff
|
tree
2017-12-08
M
a
rk
A
braham
Refine ulp
tolerances for some
more ewald tests
commit
|
commitdiff
|
tree
2017-12-05
Mark
Abraha
m
Fix mdrun -nb auto
-
pme auto when
G
P
Us
a
re abse
n
t
commit
|
commitdiff
|
tree
2017-12-05
Mark Abraham
Update
t
e
sting
t
o inclu
d
e cmak
e
3
.
10
.
0
commit
|
commitdiff
|
tree
2017-12-04
Mark Abr
a
h
am
Fix free_gpu
commit
|
commitdiff
|
tree
2017-12-04
Mark Abr
a
ham
Fix un
u
sed v
a
ri
a
bles in CPU pruni
n
g kerne
l
s
commit
|
commitdiff
|
tree
2017-12-04
Mark Abraham
Merge
branc
h
release-
2
016 into release-2018
commit
|
commitdiff
|
tree
2017-12-03
Mark
Abraha
m
Fix fft5d pinn
i
ng
commit
|
commitdiff
|
tree
2017-11-28
Mark Abraha
m
GR
O
MA
C
S 2018 first beta
r
e
l
ease
commit
|
commitdiff
|
tree
2017-11-24
Mark A
b
raham
Update developer gu
i
de
commit
|
commitdiff
|
tree
2017-11-24
Mark A
b
raham
Act
i
vate PME on GPUs
commit
|
commitdiff
|
tree
2017-11-24
Mark
A
braham
Separ
a
te ma
n
agement o
f
G
PU conte
x
t
s
f
ro
m
modu
l
e
s
commit
|
commitdiff
|
tree
2017-11-24
Mark A
b
raham
Add PME inte
g
ration test
commit
|
commitdiff
|
tree
2017-11-24
Mark Abraham
Exten
d
task
assignment c
o
de
commit
|
commitdiff
|
tree
2017-11-21
Mar
k
Abrah
a
m
Use much
l
e
s
s Pad
d
edRVecVect
o
r and mo
r
e
A
rray
R
e
f
of
.
.
.
commit
|
commitdiff
|
tree
2017-11-21
M
ark Abraham
Support pinning in
H
o
st
A
ll
o
ca
t
or
commit
|
commitdiff
|
tree
2017-11-20
Mark
A
braham
Fi
x
nightly ma
t
ri
x
conf
i
g
commit
|
commitdiff
|
tree
2017-11-19
Mark A
b
raha
m
Fi
x
FindCUDA
.
cma
k
e f
o
r -Wundef
commit
|
commitdiff
|
tree
2017-11-17
Mark Abra
h
am
Use H
o
stAllocationPolicy for ch
a
rgeA
commit
|
commitdiff
|
tree
2017-11-17
M
a
rk Abraham
Add checkin
g
function for whether a buffer is
p
inne
d
commit
|
commitdiff
|
tree
2017-11-17
Mark
A
braham
Impr
o
v
e
han
d
ling of P
M
E GPU force
b
uffer
commit
|
commitdiff
|
tree
2017-11-10
Mark Abraham
Im
p
ort
cmake Modules/FindCUD
A
.
cmake
commit
|
commitdiff
|
tree
2017-11-09
Ma
r
k Abraham
Prepared t_m
d
atoms for using vector
commit
|
commitdiff
|
tree
2017-11-09
M
a
rk Abraham
Intro
d
uce Host
A
llo
c
ationPolicy
commit
|
commitdiff
|
tree
2017-11-07
M
a
rk Abraham
Reform gmx_pme_pp allo
c
an
d
use ve
c
tor
commit
|
commitdiff
|
tree
2017-11-07
Mark Abraham
Introduce gmxopen
c
l
.
h
commit
|
commitdiff
|
tree
2017-11-07
Mark Abraham
T
est clang o
n
ARM in nightly m
a
trix
commit
|
commitdiff
|
tree
2017-11-07
M
a
rk
A
braham
Im
p
rove PME incl
u
des
commit
|
commitdiff
|
tree
2017-11-03
Mark
Ab
r
aham
Merge "
M
erg
e
b
r
anch release-2016"
commit
|
commitdiff
|
tree
2017-11-02
M
a
rk A
b
r
aham
Merge br
a
n
c
h releas
e
-2016
commit
|
commitdiff
|
tree
2017-11-01
Mark Abraha
m
Fix thread-MPI
r
ank cho
i
ce for orientatio
n
r
e
straints
commit
|
commitdiff
|
tree
2017-11-01
Ma
r
k A
b
rah
a
m
Improve handling of G
P
U IDs
commit
|
commitdiff
|
tree
2017-10-31
Mark Abraham
Update treatment
o
f
GPU c
o
m
p
atibility data s
t
ructure
commit
|
commitdiff
|
tree
2017-10-30
M
ark Abraham
F
i
x and u
p
dat
e
h
w
_i
n
fo
commit
|
commitdiff
|
tree
2017-10-27
Mark Abraham
Fix hw det
e
ctio
n
more
commit
|
commitdiff
|
tree
2017-10-26
Mark Abraham
Make releas
e
m
a
trix
wor
k
again
commit
|
commitdiff
|
tree
2017-10-26
Mark
Abraham
New
quot
e
commit
|
commitdiff
|
tree
2017-10-25
Mark
Abraham
Teach t
h
e copyright
c
hecker abo
u
t template
.
cpp
commit
|
commitdiff
|
tree
2017-10-20
Mar
k
Abraham
Clar
i
fy docs for
F
max in EM
commit
|
commitdiff
|
tree
2017-10-20
Mark Abraham
Merge branc
h
r
e
lease-2016
commit
|
commitdiff
|
tree
2017-10-16
Mark Ab
r
aham
Me
r
ge bra
n
ch release-2016
commit
|
commitdiff
|
tree
2017-10-13
Mark Abraham
Update tests for C
+
+11 c
o
mpiler and stan
d
ard l
i
b
rary
commit
|
commitdiff
|
tree
2017-10-13
Mark Ab
r
aham
Fix cpu
i
nfo on clang + non-x8
6
commit
|
commitdiff
|
tree
2017-10-11
M
ark Abraham
Introduced header for comm
u
n
ication
to/from PME ranks
commit
|
commitdiff
|
tree
2017-10-11
Mark A
b
raham
Cl
e
aned up ewaldcoe
f
f for PM
E
-only ranks
commit
|
commitdiff
|
tree
2017-10-11
Mark Abraham
Use clang-5
i
n Jenkins
commit
|
commitdiff
|
tree
2017-10-07
Ma
r
k Abraham
Tel
l
cpp
c
heck that
.
cpp and
.
cu files are c++
commit
|
commitdiff
|
tree
2017-10-05
Mark
A
braham
C
o
ntinue removing -nb gpu_cp
u
commit
|
commitdiff
|
tree
2017-10-04
Mar
k
Abraham
Enable gro
u
p-
s
chem
e
S
I
M
D w
i
th GM
X
_SIMD
=
AVX2_128
commit
|
commitdiff
|
tree
2017-10-03
Mark Abraham
Introduce and use Align
e
dAllocationPolic
y
commit
|
commitdiff
|
tree
2017-09-19
Mark Abraham
Update
t
esti
n
g m
a
trices t
o
test with (latest)
i
c
c
-18
commit
|
commitdiff
|
tree
2017-09-17
M
a
r
k
Abraham
Mer
g
e b
r
anch rel
e
ase-2016
commit
|
commitdiff
|
tree
2017-09-15
Mark A
b
raham
Ex
p
ress inten
t
of matrix release bu
i
ld types
e
xplicitly
commit
|
commitdiff
|
tree
2017-09-15
Mark Abraham
Bumped pat
c
h v
e
rsion f
o
r ne
x
t releas
e
commit
|
commitdiff
|
tree
2017-09-15
Mar
k
Abraha
m
Version 201
6
.
4
commit
|
commitdiff
|
tree
2017-09-14
Mark Abraham
Form taskass
i
gnme
n
t modul
e
commit
|
commitdiff
|
tree
2017-09-14
Mark Abraham
F
i
x comp
a
t m
o
dule de
f
inition
commit
|
commitdiff
|
tree
2017-09-12
Mark Abraham
Merge branch rele
a
s
e-2016
commit
|
commitdiff
|
tree
2017-09-07
M
a
rk Abraha
m
Intr
o
duce type-safe GPU emulation variabl
e
s
commit
|
commitdiff
|
tree
2017-09-07
Mark Abraham
E
nable grou
p
-scheme S
I
MD kernels
on recent AVX e
x
te
n
sions
commit
|
commitdiff
|
tree
2017-09-06
Mark
A
brah
a
m
Prepare Verlet scheme later in run
n
er
commit
|
commitdiff
|
tree
2017-09-05
Mark A
b
raham
Fixes for Sola
r
i
s
commit
|
commitdiff
|
tree
2017-09-05
Mark Abraha
m
Fi
x
use of GPU information for thread
-
MPI setup
commit
|
commitdiff
|
tree
next