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Third beta release of 2018
2017-12-19
Mark Abraham
Third beta
r
elease of 2018
commit
|
commitdiff
|
tree
2017-12-19
Mark Abr
a
ham
Fix
t
able te
s
ts and im
p
rove table con
s
truct
i
on
commit
|
commitdiff
|
tree
2017-12-15
Mark
A
bra
h
am
Ma
k
e
O
pe
n
CL implementation of
g
p
u
_util
s
tests conf
o
rm
commit
|
commitdiff
|
tree
2017-12-14
Mark
A
braham
Fix return va
l
ues
of fr
a
me-rea
d
ing functi
o
n
s
commit
|
commitdiff
|
tree
2017-12-14
Mark Abraham
Ma
k
e AVX-512 CMake detction work
commit
|
commitdiff
|
tree
2017-12-14
M
a
rk Abraham
Merge "
M
erge branch release-2016 into releas
e
-2018
.
.
.
commit
|
commitdiff
|
tree
2017-12-12
M
a
rk Ab
r
ah
a
m
Improve grompp mi
s
sing-parameters error message
commit
|
commitdiff
|
tree
2017-12-12
M
a
r
k
Abrah
a
m
M
erge branch r
e
lease-2
0
1
6 in
t
o
release-2018
commit
|
commitdiff
|
tree
2017-12-11
M
a
r
k
Abr
a
ham
Second
beta release of 2018
commit
|
commitdiff
|
tree
2017-12-11
M
a
rk Abra
h
am
Le
a
ve NVML u
s
e off by def
a
ult
commit
|
commitdiff
|
tree
2017-12-11
Mark Abra
h
am
Chec
k
for GPU
d
etection su
p
port before detecting
commit
|
commitdiff
|
tree
2017-12-11
Mark Abra
h
am
Consume any error p
r
odu
c
ed during GPU d
e
tection
commit
|
commitdiff
|
tree
2017-12-11
M
ark Abr
a
ham
Avoid signed-overflow warning wit
h
g
c
c 7
commit
|
commitdiff
|
tree
2017-12-11
Mark Abraham
Re
m
ove
S
IMD shif
t
operator
s
commit
|
commitdiff
|
tree
2017-12-08
Mark Abraham
Refine u
l
p to
l
erances for
some more ewald tests
commit
|
commitdiff
|
tree
2017-12-05
Mark Abraham
Fix
m
d
run -nb
a
uto -pme auto whe
n
GPUs are absent
commit
|
commitdiff
|
tree
2017-12-05
M
a
r
k
Abraham
Update testin
g
to
include cma
k
e 3
.
10
.
0
commit
|
commitdiff
|
tree
2017-12-04
Mark Abra
h
am
Fix free_gpu
commit
|
commitdiff
|
tree
2017-12-04
Mark Abraham
Fix unused variable
s
in CPU prun
i
ng k
e
rnels
commit
|
commitdiff
|
tree
2017-12-04
Mark
A
brah
a
m
M
e
rge branch release-
2
016 into relea
s
e-2018
commit
|
commitdiff
|
tree
2017-12-03
Mark Ab
r
aham
Fix fft5d pinning
commit
|
commitdiff
|
tree
2017-11-28
Mark Abr
a
ha
m
G
ROMACS 2018 fi
r
s
t
beta
release
commit
|
commitdiff
|
tree
2017-11-24
M
ark A
b
raham
Update dev
e
l
oper guid
e
commit
|
commitdiff
|
tree
2017-11-24
Mark Ab
r
aham
Act
i
vat
e
PME
on GPUs
commit
|
commitdiff
|
tree
2017-11-24
M
a
r
k
Abraham
Sepa
r
ate manag
e
m
e
n
t of GPU contexts
from modules
commit
|
commitdiff
|
tree
2017-11-24
Mark Ab
r
aham
Add PME integration te
s
t
commit
|
commitdiff
|
tree
2017-11-24
Mark Abraham
Ext
e
nd tas
k
a
ssignment
code
commit
|
commitdiff
|
tree
2017-11-21
Mark Abraham
Use much less PaddedR
V
ecV
e
cto
r
and mo
r
e ArrayRef of
.
.
.
commit
|
commitdiff
|
tree
2017-11-21
M
a
rk Abra
h
am
Support pi
n
ning in HostA
l
l
o
c
a
tor
commit
|
commitdiff
|
tree
2017-11-20
Mark Abr
a
h
am
F
ix nightly matrix config
commit
|
commitdiff
|
tree
2017-11-19
Ma
r
k Abraham
Fix FindCUDA
.
c
make
f
o
r -W
u
nd
e
f
commit
|
commitdiff
|
tree
2017-11-17
Mark
Abraham
Use HostAllocationPolicy for chargeA
commit
|
commitdiff
|
tree
2017-11-17
M
a
r
k
Abraham
Add checking functi
o
n for
w
het
h
e
r
a
buff
e
r
is
pinned
commit
|
commitdiff
|
tree
2017-11-17
Mark
Abraham
Improve handling of PME GPU force buf
f
er
commit
|
commitdiff
|
tree
2017-11-10
Mark Abraham
Import c
m
ake Modules/FindCUDA
.
cmake
commit
|
commitdiff
|
tree
2017-11-09
M
a
rk Abraham
P
r
epared t_m
d
at
o
ms fo
r
using vect
o
r
commit
|
commitdiff
|
tree
2017-11-09
Mar
k
A
br
a
h
am
I
n
tr
o
duce HostAlloc
a
tionPolic
y
commit
|
commitdiff
|
tree
2017-11-07
Mark Abrah
a
m
Re
f
o
r
m gmx_pme_
p
p alloc and use vector
commit
|
commitdiff
|
tree
2017-11-07
Mark Abraham
Int
r
oduce gmxopencl
.
h
commit
|
commitdiff
|
tree
2017-11-07
Mark Abraham
T
e
st
c
lang o
n
ARM in
n
i
ghtl
y
m
a
trix
commit
|
commitdiff
|
tree
2017-11-07
Mark Abraham
I
mprove PME includes
commit
|
commitdiff
|
tree
2017-11-03
Mark Abraham
Merge "Merge bran
c
h release-2016"
commit
|
commitdiff
|
tree
2017-11-02
Mark
Abraham
Merge
b
ranc
h
relea
s
e-2016
commit
|
commitdiff
|
tree
2017-11-01
Mark Abraham
Fix thre
a
d
-
MPI r
a
nk choic
e
f
o
r orient
a
tion restr
a
int
s
commit
|
commitdiff
|
tree
2017-11-01
Mar
k
Ab
r
aha
m
I
m
prove handli
n
g o
f
GP
U
I
D
s
commit
|
commitdiff
|
tree
2017-10-31
Mark Abraham
Upd
a
te
t
reatmen
t
o
f GPU compatibi
l
ity data structure
commit
|
commitdiff
|
tree
2017-10-30
M
ark Abraham
Fix and update hw_info
commit
|
commitdiff
|
tree
2017-10-27
Mark
A
brah
a
m
Fix hw detection more
commit
|
commitdiff
|
tree
2017-10-26
Mark
A
br
a
ham
M
a
ke
r
e
lea
s
e m
a
trix wo
r
k again
commit
|
commitdiff
|
tree
2017-10-26
Ma
r
k Ab
r
aham
New quote
commit
|
commitdiff
|
tree
2017-10-25
M
a
rk Ab
r
a
h
am
Teach the co
p
y
right checker about template
.
cpp
commit
|
commitdiff
|
tree
2017-10-20
Mark Abra
h
am
Cl
a
rify docs f
o
r Fm
a
x in EM
commit
|
commitdiff
|
tree
2017-10-20
Ma
r
k Abraham
Me
r
ge branch release-
2
016
commit
|
commitdiff
|
tree
2017-10-16
Mark
Abraham
M
e
rge bra
n
ch
r
e
l
ea
s
e-2016
commit
|
commitdiff
|
tree
2017-10-13
Mar
k
A
br
a
ham
U
pd
a
te tests for C+
+
11 comp
i
ler and
s
tandard
l
i
brary
commit
|
commitdiff
|
tree
2017-10-13
Mark
A
braham
F
i
x cpuinfo
on clang + non-x86
commit
|
commitdiff
|
tree
2017-10-11
Mark Abrah
a
m
Introduced
h
eader for
communicat
i
on to/from PME ranks
commit
|
commitdiff
|
tree
2017-10-11
Mark A
b
raham
Cleaned up ewald
c
o
eff for
PME-only ranks
commit
|
commitdiff
|
tree
2017-10-11
Mark Abraham
Use cl
a
ng-5 in Jenkins
commit
|
commitdiff
|
tree
2017-10-07
Mark A
b
r
aham
Tell cppcheck t
h
a
t
.
cpp and
.
cu files are c++
commit
|
commitdiff
|
tree
2017-10-05
Mark Abra
h
am
Conti
n
ue remo
v
ing -nb
g
p
u
_cpu
commit
|
commitdiff
|
tree
2017-10-04
Mark Ab
r
aham
Enable
group-sc
h
eme
S
IMD with
G
M
X_SIMD=A
V
X
2
_128
commit
|
commitdiff
|
tree
2017-10-03
Ma
r
k Abraham
Introduce a
n
d use AlignedAl
l
o
c
atio
n
P
o
li
c
y
commit
|
commitdiff
|
tree
2017-09-19
Mark Ab
r
ah
a
m
Update testing matrices
to
t
est with (latest) icc-
1
8
commit
|
commitdiff
|
tree
2017-09-17
Mark Abraham
Merge branch re
l
ease-2016
commit
|
commitdiff
|
tree
2017-09-15
Mark
Abraham
Express in
t
ent
of matrix
release b
u
ild typ
e
s
explici
t
ly
commit
|
commitdiff
|
tree
2017-09-15
Mar
k
Abraham
Bu
m
ped patch versio
n
for
n
ext releas
e
commit
|
commitdiff
|
tree
2017-09-15
Mark
Abraham
Version
2
016
.
4
commit
|
commitdiff
|
tree
2017-09-14
Mark Abraham
Form taskassign
m
e
n
t mod
u
l
e
commit
|
commitdiff
|
tree
2017-09-14
Mark Abraham
Fix comp
a
t
module
d
efinitio
n
commit
|
commitdiff
|
tree
2017-09-12
Mar
k
Abraham
Me
r
g
e bra
n
ch re
l
ease-2016
commit
|
commitdiff
|
tree
2017-09-07
Mark Abraham
I
ntr
o
d
u
c
e
type-safe GPU e
m
ulation
v
ariab
l
es
commit
|
commitdiff
|
tree
2017-09-07
Mark Abraham
Enab
l
e
g
roup-sch
e
me SIM
D
k
e
rne
l
s on recent AV
X
e
xtensions
commit
|
commitdiff
|
tree
2017-09-06
Mark Abraham
P
repare Verlet sche
m
e later i
n
runner
commit
|
commitdiff
|
tree
2017-09-05
Mark Abraham
Fixes for Solar
i
s
commit
|
commitdiff
|
tree
2017-09-05
Ma
r
k Abraham
Fix
use of GPU in
f
o
r
mat
i
o
n
for thread-MPI setup
commit
|
commitdiff
|
tree
2017-09-03
Mark Abraha
m
Fix
c
ompiler flags for using
MKL
commit
|
commitdiff
|
tree
2017-09-03
M
a
rk
A
braham
Merge branc
h
release-5-1
into release-2016
commit
|
commitdiff
|
tree
2017-08-25
Mark Abrah
a
m
Fix flat-bottomed positi
o
n res
t
raints with mul
t
iple
.
.
.
commit
|
commitdiff
|
tree
2017-08-23
Mark Abraham
Stoppe
d
c
h
e
ckpoin
t
influencing parallelism setup
commit
|
commitdiff
|
tree
2017-08-22
Mark Abraha
m
R
u
n GPU de
t
ecti
o
n even f
o
r
mdrun -nb
cpu
commit
|
commitdiff
|
tree
2017-08-22
M
a
r
k
A
braham
Fix
e
d threa
d
-MPI with
non-d
e
fault -npm
e
commit
|
commitdiff
|
tree
2017-08-22
Mark Abrah
a
m
Fix mis
s
i
ng decl
a
ra
t
ion of
GMX_UNUSED_VA
L
U
E
commit
|
commitdiff
|
tree
2017-08-22
Mark Abraha
m
Merge branch release
-
2016
commit
|
commitdiff
|
tree
2017-08-21
Mark A
b
raha
m
Moved
i
ncreas
e
_nstlist(
)
to nbnxn_tun
i
ng
.
h
commit
|
commitdiff
|
tree
2017-08-21
Ma
r
k Abraham
F
ix
compilation issue
s
with A
R
M SIMD
commit
|
commitdiff
|
tree
2017-08-17
Mark Abra
h
am
Rep
l
ace consisten
c
y
c
h
e
cking with assertion
commit
|
commitdiff
|
tree
2017-08-16
Ma
r
k Abr
a
ham
Parse user-supplied GPU tas
k
assignment only when needed
commit
|
commitdiff
|
tree
2017-08-16
M
a
rk Abrah
a
m
R
e
move d
u
plic
a
te GPU
n
on-us
a
ge hi
n
t
commit
|
commitdiff
|
tree
2017-08-16
Mark
Abrah
a
m
Moved
l
ogging f
u
nctiona
l
ity into GPU usage report
commit
|
commitdiff
|
tree
2017-08-15
Mark Abraham
M
e
rge
branch release-5-1
into release-2016
commit
|
commitdiff
|
tree
2017-08-15
Mark Abrah
a
m
Fix value
o
f
E
w
ald
sh
i
ft
commit
|
commitdiff
|
tree
2017-08-10
Mark Abraham
Clari
f
y data flow in GPU t
a
s
k assignment
commit
|
commitdiff
|
tree
2017-08-07
Ma
r
k Abraham
Fix inclu
d
e d
e
pendency for getenv
commit
|
commitdiff
|
tree
2017-08-07
M
ark
Abraham
S
implified handli
n
g of GPU
de
v
ice IDs
commit
|
commitdiff
|
tree
2017-08-06
Mark Abraham
Sim
p
lify re
s
our
c
e-
d
i
v
i
s
ion e
f
ficiency ch
e
ck
commit
|
commitdiff
|
tree
2017-08-06
Mark Abr
a
ham
Split printhardw
a
re
f
rom detecthardware
commit
|
commitdiff
|
tree
2017-08-06
Mark Abraham
Decouple tas
k
ass
i
gnment from task execution
commit
|
commitdiff
|
tree
2017-08-06
Mark
Abraham
Removed unused host-sid
e
allocation code
commit
|
commitdiff
|
tree
2017-08-04
Ma
r
k Abraha
m
St
o
p us
i
n
g
hwinfo_g fo
r
re
p
orting code
commit
|
commitdiff
|
tree
next