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Version 2018
2018-01-11
Mark Abraham
V
e
rsio
n
2018
commit
|
commitdiff
|
tree
2018-01-11
Mark Ab
r
a
h
a
m
Annou
n
ce i
n
u
ser log fi
l
e
s
that features are de
p
recated
.
commit
|
commitdiff
|
tree
2018-01-10
Mark Abraham
F
i
x automated G
P
U
ID
a
s
sign
m
ent
commit
|
commitdiff
|
tree
2018-01-10
Mark Abraham
Ad
d
rele
a
se notes to
s
ou
r
ce repo
commit
|
commitdiff
|
tree
2018-01-10
Mar
k
Abra
h
am
Hand
l
e er
r
o
neo
u
s command
l
ine args better
commit
|
commitdiff
|
tree
2018-01-09
Ma
r
k Abraham
Deactivate autoselect
o
f
PME o
n
G
P
U
on separate rank
commit
|
commitdiff
|
tree
2018-01-09
Mark Abra
h
am
Clean
u
p
u
s
er gui
d
e
f
or relea
s
e
commit
|
commitdiff
|
tree
2018-01-09
M
ar
k
Abr
a
ham
Merge branch releas
e
-2016 into release
-
20
1
8
commit
|
commitdiff
|
tree
2018-01-05
Mark Abr
a
ham
Remove FindC
U
DA from s
o
urce tar
b
al
l
commit
|
commitdiff
|
tree
2018-01-04
M
ark Abraha
m
Add
te
s
t
c
onfig o
f
G
P
U build
o
n slave with
o
u
t GPU
commit
|
commitdiff
|
tree
2018-01-03
M
a
rk Abraham
F
i
x d
u
plicat
e
war
n
ing
commit
|
commitdiff
|
tree
2018-01-02
Mark A
b
raham
Fix memb
e
d by calling
t
he p
r
oper m
t
op finalization
.
.
.
commit
|
commitdiff
|
tree
2017-12-30
M
a
rk
Abraham
Firs
t
relea
s
e candidate
f
or
v
er
s
ion 20
1
8
commit
|
commitdiff
|
tree
2017-12-29
Mark Abrah
a
m
Separate ca
n
DetectG
p
u
s
an
d
findGpus futher, and fix
.
.
.
commit
|
commitdiff
|
tree
2017-12-27
Mark Ab
r
a
h
am
S
i
l
ence POW
E
R
8
compi
l
er warn
i
ngs
commit
|
commitdiff
|
tree
2017-12-22
Mark Abr
a
ham
Merg
e
branch r
e
le
a
se-
2
016
i
n
t
o
release-2018
commit
|
commitdiff
|
tree
2017-12-21
Mark Abraha
m
Merge branch release-5
-
1
int
o
release-2016
commit
|
commitdiff
|
tree
2017-12-21
Mark Abraham
Bump minor ver
s
ion for
theoretical new
re
l
ease
commit
|
commitdiff
|
tree
2017-12-21
M
ark Abraham
U
pdate double-
p
recision test confi
g
ura
t
ions
commit
|
commitdiff
|
tree
2017-12-21
M
a
r
k
Abraham
Version 5
.
1
.
5
commit
|
commitdiff
|
tree
2017-12-20
Mark Abraham
Use new def
a
u
l
t
R
ealTolerance() to
s
t
abilise some tests
commit
|
commitdiff
|
tree
2017-12-20
Mar
k
Abrah
a
m
Merge "M
e
rge
branch release-2016 into
releas
e
-2018
.
.
.
commit
|
commitdiff
|
tree
2017-12-20
Mark Abraham
Merge
branch relea
s
e-2016 into relea
s
e-2018
commit
|
commitdiff
|
tree
2017-12-19
Ma
r
k Abraham
Third beta re
l
ease
of
2
018
commit
|
commitdiff
|
tree
2017-12-19
Mark Abraham
Fix table te
s
ts and imp
r
ove table c
o
nstructio
n
commit
|
commitdiff
|
tree
2017-12-15
Mark Abraham
Make OpenC
L
implement
a
tion of gpu_utils tests conform
commit
|
commitdiff
|
tree
2017-12-14
Mark Abr
a
ham
Avoid confu
s
ing messa
g
e at end of non-
d
ynamical runs
commit
|
commitdiff
|
tree
2017-12-14
Mark Abr
a
ham
Fix return values of
f
ra
m
e-reading functions
commit
|
commitdiff
|
tree
2017-12-14
Mark Abraha
m
Make
AVX-512
C
M
a
ke detction work
commit
|
commitdiff
|
tree
2017-12-14
Mark Abraham
M
erge "
M
erge branch release-2016
i
nto relea
s
e-2018
.
.
.
commit
|
commitdiff
|
tree
2017-12-12
Mark Abrah
a
m
Improve grompp missing-para
m
eters
error
message
commit
|
commitdiff
|
tree
2017-12-12
Mark Abra
h
am
Merge
b
ranch r
e
lease
-
20
1
6
into r
e
lease-2018
commit
|
commitdiff
|
tree
2017-12-11
M
a
rk Abraham
Second beta r
e
lease of 20
1
8
commit
|
commitdiff
|
tree
2017-12-11
Mark Abraham
Leave
NVML use
off b
y
default
commit
|
commitdiff
|
tree
2017-12-11
Mark Abr
a
ham
Chec
k
fo
r
GPU
d
etection support before d
e
tecti
n
g
commit
|
commitdiff
|
tree
2017-12-11
M
ark Abrah
a
m
Cons
u
m
e any err
o
r produced during GP
U
detection
commit
|
commitdiff
|
tree
2017-12-11
Mark Abraham
A
voi
d
signed-
o
verf
l
ow
warnin
g
with gcc 7
commit
|
commitdiff
|
tree
2017-12-11
Mark Abraham
R
emove
S
IMD shif
t
operators
commit
|
commitdiff
|
tree
2017-12-08
Mark Abra
h
a
m
R
e
fine
ulp
tol
e
ra
n
ces for some
m
ore
ewald tests
commit
|
commitdiff
|
tree
2017-12-05
M
a
rk Abraha
m
F
i
x mdrun -
n
b auto -pme
a
u
to when
GPUs a
r
e a
b
sen
t
commit
|
commitdiff
|
tree
2017-12-05
M
a
rk
Ab
r
aham
Update testing to
i
n
c
lude cmake 3
.
10
.
0
commit
|
commitdiff
|
tree
2017-12-04
Mark Abraha
m
Fix fre
e
_gpu
commit
|
commitdiff
|
tree
2017-12-04
M
a
rk
A
br
a
ham
Fix unused variables in CPU
p
runi
n
g kernels
commit
|
commitdiff
|
tree
2017-12-04
Mar
k
Abrah
a
m
Merge branc
h
r
e
lease
-
2016 into release-2018
commit
|
commitdiff
|
tree
2017-12-03
Mark Abraham
F
i
x fft5
d
pi
n
ning
commit
|
commitdiff
|
tree
2017-11-28
Mark
A
braham
GROMACS 2018 first
b
eta re
l
ease
commit
|
commitdiff
|
tree
2017-11-24
Mark Abrah
a
m
U
p
date developer g
u
ide
commit
|
commitdiff
|
tree
2017-11-24
Mark Ab
r
aham
Ac
t
i
v
ate PME on
G
P
U
s
commit
|
commitdiff
|
tree
2017-11-24
M
ark Abraham
Separate ma
n
agement o
f
GPU contexts from modules
commit
|
commitdiff
|
tree
2017-11-24
M
a
rk Abraham
Add PME
i
ntegrati
o
n test
commit
|
commitdiff
|
tree
2017-11-24
Mark Abraham
Extend task ass
i
gnment
c
o
de
commit
|
commitdiff
|
tree
2017-11-21
M
ar
k
Abraham
U
s
e much less P
a
d
d
e
dRVecV
e
ctor and more
ArrayRef
of
.
.
.
commit
|
commitdiff
|
tree
2017-11-21
Mark Abra
h
am
Support pi
n
ning in HostAllocato
r
commit
|
commitdiff
|
tree
2017-11-20
Mark Abraham
Fix nightly matrix
c
onfi
g
commit
|
commitdiff
|
tree
2017-11-19
Mark
A
braham
Fix
F
indCU
D
A
.
cmake for -Wu
n
def
commit
|
commitdiff
|
tree
2017-11-17
Mark Abraham
Us
e
Hos
t
Allocat
i
onPolicy for chargeA
commit
|
commitdiff
|
tree
2017-11-17
Mark Abraham
Add che
c
k
i
ng functio
n
for
whethe
r
a
b
uf
f
e
r
is pinned
commit
|
commitdiff
|
tree
2017-11-17
Ma
r
k Abraha
m
Improv
e
h
and
l
i
n
g
of PME
GPU force buffer
commit
|
commitdiff
|
tree
2017-11-10
Mark Abrah
a
m
I
m
port cmake Modules/FindCUDA
.
cm
a
ke
commit
|
commitdiff
|
tree
2017-11-09
Mark Ab
r
ah
a
m
Prepa
r
ed t_md
a
to
m
s for using
v
ect
o
r
commit
|
commitdiff
|
tree
2017-11-09
Mark A
b
raham
Introduce HostAllo
c
ationPolicy
commit
|
commitdiff
|
tree
2017-11-07
Mark Ab
r
aham
Reform gmx_pme_pp alloc and use v
e
c
to
r
commit
|
commitdiff
|
tree
2017-11-07
Mark
A
braham
Introduce gm
x
o
p
en
c
l
.
h
commit
|
commitdiff
|
tree
2017-11-07
Mark Abraham
Test clang on ARM in night
l
y matrix
commit
|
commitdiff
|
tree
2017-11-07
Mark Abra
h
am
Improve PME
i
ncludes
commit
|
commitdiff
|
tree
2017-11-03
Mark
Abraham
Mer
g
e "Merge b
r
anch releas
e
-
2
016"
commit
|
commitdiff
|
tree
2017-11-02
Mark Abraham
Merge branch
re
l
ease-
2
016
commit
|
commitdiff
|
tree
2017-11-01
Mark Abraham
Fix thread
-
MPI ran
k
choi
c
e for o
r
ientation re
s
t
raints
commit
|
commitdiff
|
tree
2017-11-01
Ma
r
k A
b
ra
h
a
m
Impro
v
e handling of GPU
I
Ds
commit
|
commitdiff
|
tree
2017-10-31
Mark Abr
a
h
am
Update tre
a
tment
o
f GPU compati
b
il
i
ty
dat
a
structure
commit
|
commitdiff
|
tree
2017-10-30
Mark A
b
ra
h
am
Fix
a
nd update hw_info
commit
|
commitdiff
|
tree
2017-10-27
Mark
A
brah
a
m
F
i
x hw d
e
tect
i
on more
commit
|
commitdiff
|
tree
2017-10-26
Mar
k
Abr
a
h
am
Ma
k
e release matr
i
x
work again
commit
|
commitdiff
|
tree
2017-10-26
M
a
rk
Abraham
New quote
commit
|
commitdiff
|
tree
2017-10-25
Mar
k
A
b
rah
a
m
Teach the copyright checker
about templ
a
te
.
cpp
commit
|
commitdiff
|
tree
2017-10-20
Mar
k
Abra
h
am
Clarify docs f
o
r Fmax i
n
EM
commit
|
commitdiff
|
tree
2017-10-20
M
a
rk
A
b
r
aham
Merge branch release-2016
commit
|
commitdiff
|
tree
2017-10-16
Mark
A
bra
h
a
m
Merge bra
n
ch release-20
1
6
commit
|
commitdiff
|
tree
2017-10-13
Mar
k
Ab
r
aham
Up
d
ate te
s
t
s for C++1
1
c
omp
i
ler and sta
n
da
r
d librar
y
commit
|
commitdiff
|
tree
2017-10-13
M
ark Ab
r
aham
F
ix cpuinfo on clang
+
no
n
-x86
commit
|
commitdiff
|
tree
2017-10-11
M
a
r
k
Abraham
I
ntroduced header for com
m
un
i
cation to/
f
rom
PME ranks
commit
|
commitdiff
|
tree
2017-10-11
Mark Abraham
Cleaned up ewaldcoeff for PM
E
-only
r
anks
commit
|
commitdiff
|
tree
2017-10-11
M
a
rk Abr
a
ham
U
se
clang-5 in Jenkins
commit
|
commitdiff
|
tree
2017-10-07
M
a
rk
Ab
r
a
ham
T
e
l
l cppcheck
t
hat
.
c
pp and
.
cu files are c++
commit
|
commitdiff
|
tree
2017-10-05
Mark Abr
a
ham
Cont
i
nue
removing -n
b
gpu_cpu
commit
|
commitdiff
|
tree
2017-10-04
Mark Abraha
m
Ena
b
l
e
g
r
oup
-
sc
h
eme SIMD with GMX
_
SIMD=AVX2_128
commit
|
commitdiff
|
tree
2017-10-03
Mark
Abraham
Intr
o
du
c
e and
use Aligne
d
AllocationPolicy
commit
|
commitdiff
|
tree
2017-09-19
Mar
k
Abraha
m
Upd
a
te testi
n
g matri
c
es to test with (late
s
t) icc
-
18
commit
|
commitdiff
|
tree
2017-09-17
Mark Abraham
Merg
e
bran
c
h r
e
lease-2016
commit
|
commitdiff
|
tree
2017-09-15
M
ark Abra
h
am
Exp
r
ess i
n
tent of matrix
r
e
lease bu
i
ld types
e
xplicitly
commit
|
commitdiff
|
tree
2017-09-15
Mark A
b
raham
B
u
m
p
ed patch versi
o
n for next relea
s
e
commit
|
commitdiff
|
tree
2017-09-15
Mark
A
b
raha
m
Version 2016
.
4
commit
|
commitdiff
|
tree
2017-09-14
Mark Abraham
Form t
a
skas
s
ign
m
ent mod
u
l
e
commit
|
commitdiff
|
tree
2017-09-14
Mark Abraham
Fix compat modul
e
de
f
inition
commit
|
commitdiff
|
tree
2017-09-12
Mark Ab
r
aham
Mer
g
e bran
c
h release-2016
commit
|
commitdiff
|
tree
2017-09-07
Mark Abraham
Introduce type
-
s
afe
G
P
U
emulation
variables
commit
|
commitdiff
|
tree
2017-09-07
Mark Abra
h
am
Enable gr
o
up-scheme SIMD kerne
l
s on re
c
ent AV
X
extensions
commit
|
commitdiff
|
tree
2017-09-06
Mark Abraham
Prepare Verlet scheme later i
n
runner
commit
|
commitdiff
|
tree
2017-09-05
Mark Abraham
F
i
xes
f
o
r Solaris
commit
|
commitdiff
|
tree
2017-09-05
Mark Abraham
Fix use o
f
GPU
i
nformation for
t
hread-M
P
I setup
commit
|
commitdiff
|
tree
next